2-(disulfanyl)ethanol

C2H6OS2 — CID 18764697

IUPAC2-(disulfanyl)ethanol
SMILESOCCSS
InChIInChI=1S/C2H6OS2/c3-1-2-5-4/h3-4H,1-2H2
InChIKeyFUTALCJMPQBJMR-UHFFFAOYSA-N
MW110.20 g/mol
LogP0.56
Rot. Bonds2

About 2-(disulfanyl)ethanol

2-(disulfanyl)ethanol (PubChem CID 18764697) has the molecular formula C2H6OS2 and a molecular weight of 110.20 g/mol. Its IUPAC name is 2-(disulfanyl)ethanol.

Molecular Properties

Compound Name2-(disulfanyl)ethanol
PubChem CID18764697
Molecular FormulaC2H6OS2
Molecular Weight110.20 g/mol
Exact Mass109.99
IUPAC Name2-(disulfanyl)ethanol
SMILESOCCSS
InChIInChI=1S/C2H6OS2/c3-1-2-5-4/h3-4H,1-2H2
InChIKeyFUTALCJMPQBJMR-UHFFFAOYSA-N
XLogP0.56
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)ethanol?
The IUPAC name of 2-(disulfanyl)ethanol (CID 18764697) is 2-(disulfanyl)ethanol.
What is the SMILES notation for 2-(disulfanyl)ethanol?
The canonical SMILES for 2-(disulfanyl)ethanol is OCCSS.
What is the InChIKey of 2-(disulfanyl)ethanol?
The InChIKey is FUTALCJMPQBJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6OS2/c3-1-2-5-4/h3-4H,1-2H2.
What are the key properties of 2-(disulfanyl)ethanol?
2-(disulfanyl)ethanol has a molecular weight of 110.20 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)ethanol is sourced from PubChem (CID 18764697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).