2-ethenylsulfanylethanol

C4H8OS — CID 520498

IUPAC2-ethenylsulfanylethanol
SMILESC=CSCCO
InChIInChI=1S/C4H8OS/c1-2-6-4-3-5/h2,5H,1,3-4H2
InChIKeyCJDXLHTYSXHWDC-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.86
Rot. Bonds3

About 2-ethenylsulfanylethanol

2-ethenylsulfanylethanol (PubChem CID 520498) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 2-ethenylsulfanylethanol.

Molecular Properties

Compound Name2-ethenylsulfanylethanol
PubChem CID520498
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name2-ethenylsulfanylethanol
SMILESC=CSCCO
InChIInChI=1S/C4H8OS/c1-2-6-4-3-5/h2,5H,1,3-4H2
InChIKeyCJDXLHTYSXHWDC-UHFFFAOYSA-N
XLogP0.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanylethanol?
The IUPAC name of 2-ethenylsulfanylethanol (CID 520498) is 2-ethenylsulfanylethanol.
What is the SMILES notation for 2-ethenylsulfanylethanol?
The canonical SMILES for 2-ethenylsulfanylethanol is C=CSCCO.
What is the InChIKey of 2-ethenylsulfanylethanol?
The InChIKey is CJDXLHTYSXHWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-2-6-4-3-5/h2,5H,1,3-4H2.
What are the key properties of 2-ethenylsulfanylethanol?
2-ethenylsulfanylethanol has a molecular weight of 104.17 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanylethanol is sourced from PubChem (CID 520498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).