1-sulfanylhex-5-en-2-ol

C6H12OS — CID 14249195

IUPAC1-sulfanylhex-5-en-2-ol
SMILESC=CCCC(O)CS
InChIInChI=1S/C6H12OS/c1-2-3-4-6(7)5-8/h2,6-8H,1,3-5H2
InChIKeyVDICQZSUYPKYMU-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.24
Rot. Bonds4

About 1-sulfanylhex-5-en-2-ol

1-sulfanylhex-5-en-2-ol (PubChem CID 14249195) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 1-sulfanylhex-5-en-2-ol.

Molecular Properties

Compound Name1-sulfanylhex-5-en-2-ol
PubChem CID14249195
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name1-sulfanylhex-5-en-2-ol
SMILESC=CCCC(O)CS
InChIInChI=1S/C6H12OS/c1-2-3-4-6(7)5-8/h2,6-8H,1,3-5H2
InChIKeyVDICQZSUYPKYMU-UHFFFAOYSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.24
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 1-sulfanylhex-5-en-2-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 1-sulfanylhex-5-en-2-ol?
The IUPAC name of 1-sulfanylhex-5-en-2-ol (CID 14249195) is 1-sulfanylhex-5-en-2-ol.
What is the SMILES notation for 1-sulfanylhex-5-en-2-ol?
The canonical SMILES for 1-sulfanylhex-5-en-2-ol is C=CCCC(O)CS.
What is the InChIKey of 1-sulfanylhex-5-en-2-ol?
The InChIKey is VDICQZSUYPKYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-3-4-6(7)5-8/h2,6-8H,1,3-5H2.
What are the key properties of 1-sulfanylhex-5-en-2-ol?
1-sulfanylhex-5-en-2-ol has a molecular weight of 132.23 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylhex-5-en-2-ol is sourced from PubChem (CID 14249195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).