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Showing metabocard for Ethane-1,1-dithiol (HMDB0032253)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:48:45 UTC
Update Date2023-02-21 17:21:48 UTC
HMDB IDHMDB0032253
Secondary Accession Numbers
  • HMDB32253
Metabolite Identification
Common NameEthane-1,1-dithiol
DescriptionEthane-1,1-dithiol, also known as bisedt or ethandithiol, belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. Based on a literature review very few articles have been published on Ethane-1,1-dithiol.
Structure
Data?1677000108
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0032253 (Ethane-1,1-dithiol)


  Mrv0541 05061306262D          

  4  3  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
M  END
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3D MOL for HMDB0032253 (Ethane-1,1-dithiol)

HMDB0032253
     RDKit          3D
Ethane-1,1-dithiol
 10  9  0  0  0  0  0  0  0  0999 V2000
   -0.5582    0.9137    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2365   -0.3427   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7488   -1.8384   -0.0092 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6783   -0.4510    0.9745 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186    0.7915   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3676    1.2813    1.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1851    1.7470   -0.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6227   -0.2687   -1.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9326   -1.6801    0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734   -0.1526    0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  1  5  1  0
  1  6  1  0
  1  7  1  0
  2  8  1  0
  3  9  1  0
  4 10  1  0
M  END
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3D SDF for HMDB0032253 (Ethane-1,1-dithiol)


  Mrv0541 05061306262D          

  4  3  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032253

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(S)S

> <INCHI_IDENTIFIER>
InChI=1S/C2H6S2/c1-2(3)4/h2-4H,1H3

> <INCHI_KEY>
DHBXNPKRAUYBTH-UHFFFAOYSA-N

> <FORMULA>
C2H6S2

> <MOLECULAR_WEIGHT>
94.199

> <EXACT_MASS>
93.991091572

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
10.035045465170725

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethane-1,1-dithiol

> <ALOGPS_LOGP>
1.08

> <JCHEM_LOGP>
1.2456546813333331

> <ALOGPS_LOGS>
-1.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.189681066869033

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.31461641297827

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
26.503600000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.25e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(methyldithio)methane

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0032253 (Ethane-1,1-dithiol)

HMDB0032253
     RDKit          3D
Ethane-1,1-dithiol
 10  9  0  0  0  0  0  0  0  0999 V2000
   -0.5582    0.9137    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2365   -0.3427   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7488   -1.8384   -0.0092 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6783   -0.4510    0.9745 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186    0.7915   -0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3676    1.2813    1.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1851    1.7470   -0.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6227   -0.2687   -1.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9326   -1.6801    0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734   -0.1526    0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  1  5  1  0
  1  6  1  0
  1  7  1  0
  2  8  1  0
  3  9  1  0
  4 10  1  0
M  END
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PDB for HMDB0032253 (Ethane-1,1-dithiol)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    3  S   UNK     0       2.310  -1.334   0.000  0.00  0.00           S+0
HETATM    4  S   UNK     0       0.000   0.000   0.000  0.00  0.00           S+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2                                                            
MASTER        0    0    0    0    0    0    0    0    4    0    6    0
END
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3D PDB for HMDB0032253 (Ethane-1,1-dithiol)

COMPND    HMDB0032253
HETATM    1  C1  UNL     1      -0.558   0.914   0.113  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.236  -0.343  -0.113  1.00  0.00           C  
HETATM    3  S1  UNL     1      -0.749  -1.838  -0.009  1.00  0.00           S  
HETATM    4  S2  UNL     1       1.678  -0.451   0.975  1.00  0.00           S  
HETATM    5  H1  UNL     1      -1.619   0.792  -0.123  1.00  0.00           H  
HETATM    6  H2  UNL     1      -0.368   1.281   1.148  1.00  0.00           H  
HETATM    7  H3  UNL     1      -0.185   1.747  -0.553  1.00  0.00           H  
HETATM    8  H4  UNL     1       0.623  -0.269  -1.173  1.00  0.00           H  
HETATM    9  H5  UNL     1      -1.933  -1.680   0.718  1.00  0.00           H  
HETATM   10  H6  UNL     1       2.873  -0.153   0.262  1.00  0.00           H  
CONECT    1    2    5    6    7
CONECT    2    3    4    8
CONECT    3    9
CONECT    4   10
END
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SMILES for HMDB0032253 (Ethane-1,1-dithiol)

CC(S)S
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INCHI for HMDB0032253 (Ethane-1,1-dithiol)

InChI=1S/C2H6S2/c1-2(3)4/h2-4H,1H3
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1,1-EthanedithiolHMDB
EthanedithiolHMDB
1,2-EthanedithiolHMDB
2-Mercaptoethanol disulfideHMDB
BisEDTHMDB
Bismuth ethanedithiolHMDB
EthandithiolHMDB
Chemical FormulaC2H6S2
Average Molecular Weight94.199
Monoisotopic Molecular Weight93.991091572
IUPAC Nameethane-1,1-dithiol
Traditional Name(methyldithio)methane
CAS Registry Number69382-62-3
SMILES
CC(S)S
InChI Identifier
InChI=1S/C2H6S2/c1-2(3)4/h2-4H,1H3
InChI KeyDHBXNPKRAUYBTH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
KingdomOrganic compounds
Super ClassOrganosulfur compounds
ClassThiols
Sub ClassAlkylthiols
Direct ParentAlkylthiols
Alternative Parents
Substituents
  • Alkylthiol
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.25 g/LALOGPS
logP1.08ALOGPS
logP1.25ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)9.31ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity26.5 m³·mol⁻¹ChemAxon
Polarizability10.04 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+115.86631661259
DarkChem[M-H]-109.2631661259
DeepCCS[M+H]+128.32330932474
DeepCCS[M-H]-126.27830932474
DeepCCS[M-2H]-161.83930932474
DeepCCS[M+Na]+136.37530932474
AllCCS[M+H]+121.332859911
AllCCS[M+H-H2O]+117.132859911
AllCCS[M+NH4]+125.332859911
AllCCS[M+Na]+126.432859911
AllCCS[M-H]-154.232859911
AllCCS[M+Na-2H]-161.032859911
AllCCS[M+HCOO]-168.532859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 202214.3292 minutes33406817
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid150.0 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1781.0 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid538.8 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid196.1 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid380.6 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid161.8 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid431.2 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid527.1 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)887.0 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid909.0 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid237.7 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1061.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid349.7 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid341.8 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate671.9 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA514.0 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water192.3 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Ethane-1,1-dithiolCC(S)S1183.5Standard polar33892256
Ethane-1,1-dithiolCC(S)S715.5Standard non polar33892256
Ethane-1,1-dithiolCC(S)S742.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Ethane-1,1-dithiol,1TMS,isomer #1CC(S)S[Si](C)(C)C1021.4Semi standard non polar33892256
Ethane-1,1-dithiol,1TMS,isomer #1CC(S)S[Si](C)(C)C968.3Standard non polar33892256
Ethane-1,1-dithiol,2TMS,isomer #1CC(S[Si](C)(C)C)S[Si](C)(C)C1192.5Semi standard non polar33892256
Ethane-1,1-dithiol,2TMS,isomer #1CC(S[Si](C)(C)C)S[Si](C)(C)C1186.7Standard non polar33892256
Ethane-1,1-dithiol,1TBDMS,isomer #1CC(S)S[Si](C)(C)C(C)(C)C1257.9Semi standard non polar33892256
Ethane-1,1-dithiol,1TBDMS,isomer #1CC(S)S[Si](C)(C)C(C)(C)C1206.6Standard non polar33892256
Ethane-1,1-dithiol,2TBDMS,isomer #1CC(S[Si](C)(C)C(C)(C)C)S[Si](C)(C)C(C)(C)C1686.7Semi standard non polar33892256
Ethane-1,1-dithiol,2TBDMS,isomer #1CC(S[Si](C)(C)C(C)(C)C)S[Si](C)(C)C(C)(C)C1655.8Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Ethane-1,1-dithiol GC-MS (Non-derivatized) - 70eV, Positivesplash10-01ox-9000000000-7bc2bea1a42c56a5f42f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ethane-1,1-dithiol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 10V, Positive-QTOFsplash10-0006-9000000000-92748910401533cadbe42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 20V, Positive-QTOFsplash10-0006-9000000000-3c952f8abaf044c62c242016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 40V, Positive-QTOFsplash10-0403-9000000000-704072d11bee35d5a7912016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 10V, Negative-QTOFsplash10-0006-9000000000-98ab611397a1e2358b752016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 20V, Negative-QTOFsplash10-0a4l-9000000000-4cd938b25e3fa877c1792016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 40V, Negative-QTOFsplash10-000x-9000000000-c82563603f15f86657a02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 10V, Positive-QTOFsplash10-03di-9000000000-ff9c437be9955d96c16e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 20V, Positive-QTOFsplash10-03di-9000000000-ff9c437be9955d96c16e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 40V, Positive-QTOFsplash10-03di-9000000000-b8fbeed231e0ac4012022021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 10V, Negative-QTOFsplash10-0a4i-9000000000-326cd5264e76eb2650872021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 20V, Negative-QTOFsplash10-053r-9000000000-aec6efe7fe40c2555a822021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ethane-1,1-dithiol 40V, Negative-QTOFsplash10-0006-9000000000-87ef25b577dd058f62a92021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB009363
KNApSAcK IDC00053123
Chemspider ID31030
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkEthane-1,1-dithiol
METLIN IDNot Available
PubChem Compound33645
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). EAFUS: Everything Added to Food in the United States.. .