1-(disulfanyl)ethane-1,2-dithiol

C2H6S4 — CID 174625480

IUPAC1-(disulfanyl)ethane-1,2-dithiol
SMILESSCC(S)SS
InChIInChI=1S/C2H6S4/c3-1-2(4)6-5/h2-5H,1H2
InChIKeyYAOOCLJZIGUUQF-UHFFFAOYSA-N
MW158.34 g/mol
LogP1.75
Rot. Bonds2

About 1-(disulfanyl)ethane-1,2-dithiol

1-(disulfanyl)ethane-1,2-dithiol (PubChem CID 174625480) has the molecular formula C2H6S4 and a molecular weight of 158.34 g/mol. Its IUPAC name is 1-(disulfanyl)ethane-1,2-dithiol.

Molecular Properties

Compound Name1-(disulfanyl)ethane-1,2-dithiol
PubChem CID174625480
Molecular FormulaC2H6S4
Molecular Weight158.34 g/mol
Exact Mass157.94
IUPAC Name1-(disulfanyl)ethane-1,2-dithiol
SMILESSCC(S)SS
InChIInChI=1S/C2H6S4/c3-1-2(4)6-5/h2-5H,1H2
InChIKeyYAOOCLJZIGUUQF-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.34
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol
CID 141415810
butane-1,2,3,4-tetrathiol
CID 18541669
CID 172754497
CID 172754497
trisulfanylmethanethiol
CID 175397562
(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol;sulfane
CID 90205919
3-(sulfanylmethylsulfanyl)propane-1,2-dithiol
CID 23503994
sulfane;bis(2-(1-sulfanylethylsulfanyl)propane-1-thiol)
CID 87203826
3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol
CID 23072578
disulfanylmethanediol
CID 91433290
1-(1-sulfanylpropylsulfanyl)propane-1-thiol
CID 18185507
3-aminopropane-1,2-dithiol
CID 54490245
(2R,3R,4R,5R)-1,3,4,6-tetrakis(sulfanyl)hexane-2,5-diol
CID 119097548

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)ethane-1,2-dithiol?
The IUPAC name of 1-(disulfanyl)ethane-1,2-dithiol (CID 174625480) is 1-(disulfanyl)ethane-1,2-dithiol.
What is the SMILES notation for 1-(disulfanyl)ethane-1,2-dithiol?
The canonical SMILES for 1-(disulfanyl)ethane-1,2-dithiol is SCC(S)SS.
What is the InChIKey of 1-(disulfanyl)ethane-1,2-dithiol?
The InChIKey is YAOOCLJZIGUUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S4/c3-1-2(4)6-5/h2-5H,1H2.
What are the key properties of 1-(disulfanyl)ethane-1,2-dithiol?
1-(disulfanyl)ethane-1,2-dithiol has a molecular weight of 158.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)ethane-1,2-dithiol is sourced from PubChem (CID 174625480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).