4-sulfanylbut-2-en-1-ol

C4H8OS — CID 54466476

IUPAC4-sulfanylbut-2-en-1-ol
SMILESOCC=CCS
InChIInChI=1S/C4H8OS/c5-3-1-2-4-6/h1-2,5-6H,3-4H2
InChIKeyXFFVSPITRBHBRV-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.46
Rot. Bonds2

About 4-sulfanylbut-2-en-1-ol

4-sulfanylbut-2-en-1-ol (PubChem CID 54466476) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 4-sulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name4-sulfanylbut-2-en-1-ol
PubChem CID54466476
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name4-sulfanylbut-2-en-1-ol
SMILESOCC=CCS
InChIInChI=1S/C4H8OS/c5-3-1-2-4-6/h1-2,5-6H,3-4H2
InChIKeyXFFVSPITRBHBRV-UHFFFAOYSA-N
XLogP0.46
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-sulfanylbut-2-en-1-ol 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 4-sulfanylbut-2-en-1-ol?
The IUPAC name of 4-sulfanylbut-2-en-1-ol (CID 54466476) is 4-sulfanylbut-2-en-1-ol.
What is the SMILES notation for 4-sulfanylbut-2-en-1-ol?
The canonical SMILES for 4-sulfanylbut-2-en-1-ol is OCC=CCS.
What is the InChIKey of 4-sulfanylbut-2-en-1-ol?
The InChIKey is XFFVSPITRBHBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c5-3-1-2-4-6/h1-2,5-6H,3-4H2.
What are the key properties of 4-sulfanylbut-2-en-1-ol?
4-sulfanylbut-2-en-1-ol has a molecular weight of 104.17 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylbut-2-en-1-ol is sourced from PubChem (CID 54466476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).