2-(sulfanylmethylsulfanyl)ethanol

C3H8OS2 — CID 56997711

IUPAC2-(sulfanylmethylsulfanyl)ethanol
SMILESOCCSCS
InChIInChI=1S/C3H8OS2/c4-1-2-6-3-5/h4-5H,1-3H2
InChIKeyWLZBDLKHTBFXEC-UHFFFAOYSA-N
MW124.23 g/mol
LogP0.60
Rot. Bonds3

About 2-(sulfanylmethylsulfanyl)ethanol

2-(sulfanylmethylsulfanyl)ethanol (PubChem CID 56997711) has the molecular formula C3H8OS2 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2-(sulfanylmethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(sulfanylmethylsulfanyl)ethanol
PubChem CID56997711
Molecular FormulaC3H8OS2
Molecular Weight124.23 g/mol
Exact Mass124.00
IUPAC Name2-(sulfanylmethylsulfanyl)ethanol
SMILESOCCSCS
InChIInChI=1S/C3H8OS2/c4-1-2-6-3-5/h4-5H,1-3H2
InChIKeyWLZBDLKHTBFXEC-UHFFFAOYSA-N
XLogP0.60
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Frequently Asked Questions

What is the IUPAC name of 2-(sulfanylmethylsulfanyl)ethanol?
The IUPAC name of 2-(sulfanylmethylsulfanyl)ethanol (CID 56997711) is 2-(sulfanylmethylsulfanyl)ethanol.
What is the SMILES notation for 2-(sulfanylmethylsulfanyl)ethanol?
The canonical SMILES for 2-(sulfanylmethylsulfanyl)ethanol is OCCSCS.
What is the InChIKey of 2-(sulfanylmethylsulfanyl)ethanol?
The InChIKey is WLZBDLKHTBFXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OS2/c4-1-2-6-3-5/h4-5H,1-3H2.
What are the key properties of 2-(sulfanylmethylsulfanyl)ethanol?
2-(sulfanylmethylsulfanyl)ethanol has a molecular weight of 124.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfanylmethylsulfanyl)ethanol is sourced from PubChem (CID 56997711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).