2-(ethenyldisulfanyl)ethanol

C4H8OS2 — CID 59925961

IUPAC2-(ethenyldisulfanyl)ethanol
SMILESC=CSSCCO
InChIInChI=1S/C4H8OS2/c1-2-6-7-4-3-5/h2,5H,1,3-4H2
InChIKeyPBRBUXUBAQIFPU-UHFFFAOYSA-N
MW136.24 g/mol
LogP1.50
Rot. Bonds4

About 2-(ethenyldisulfanyl)ethanol

2-(ethenyldisulfanyl)ethanol (PubChem CID 59925961) has the molecular formula C4H8OS2 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-(ethenyldisulfanyl)ethanol.

Molecular Properties

Compound Name2-(ethenyldisulfanyl)ethanol
PubChem CID59925961
Molecular FormulaC4H8OS2
Molecular Weight136.24 g/mol
Exact Mass136.00
IUPAC Name2-(ethenyldisulfanyl)ethanol
SMILESC=CSSCCO
InChIInChI=1S/C4H8OS2/c1-2-6-7-4-3-5/h2,5H,1,3-4H2
InChIKeyPBRBUXUBAQIFPU-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(ethenyldisulfanyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethenyldisulfanyl)ethanol?
The IUPAC name of 2-(ethenyldisulfanyl)ethanol (CID 59925961) is 2-(ethenyldisulfanyl)ethanol.
What is the SMILES notation for 2-(ethenyldisulfanyl)ethanol?
The canonical SMILES for 2-(ethenyldisulfanyl)ethanol is C=CSSCCO.
What is the InChIKey of 2-(ethenyldisulfanyl)ethanol?
The InChIKey is PBRBUXUBAQIFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS2/c1-2-6-7-4-3-5/h2,5H,1,3-4H2.
What are the key properties of 2-(ethenyldisulfanyl)ethanol?
2-(ethenyldisulfanyl)ethanol has a molecular weight of 136.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenyldisulfanyl)ethanol is sourced from PubChem (CID 59925961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).