(3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol

C8H12OS — CID 89074756

IUPAC(3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol
SMILESC=C/C=C(S)\C=C/CCO
InChIInChI=1S/C8H12OS/c1-2-5-8(10)6-3-4-7-9/h2-3,5-6,9-10H,1,4,7H2/b6-3-,8-5+
InChIKeyGQZQMXSXRXVRSY-LILZIHMPSA-N
MW156.25 g/mol
LogP1.92
Rot. Bonds4

About (3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol

(3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol (PubChem CID 89074756) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is (3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol.

Molecular Properties

Compound Name(3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol
PubChem CID89074756
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name(3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol
SMILESC=C/C=C(S)\C=C/CCO
InChIInChI=1S/C8H12OS/c1-2-5-8(10)6-3-4-7-9/h2-3,5-6,9-10H,1,4,7H2/b6-3-,8-5+
InChIKeyGQZQMXSXRXVRSY-LILZIHMPSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5E)-5-sulfanylocta-3,5,7-trien-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 (3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol?
The IUPAC name of (3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol (CID 89074756) is (3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol.
What is the SMILES notation for (3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol?
The canonical SMILES for (3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol is C=C/C=C(S)\C=C/CCO.
What is the InChIKey of (3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol?
The InChIKey is GQZQMXSXRXVRSY-LILZIHMPSA-N. The full InChI is InChI=1S/C8H12OS/c1-2-5-8(10)6-3-4-7-9/h2-3,5-6,9-10H,1,4,7H2/b6-3-,8-5+.
What are the key properties of (3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol?
(3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol has a molecular weight of 156.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-sulfanylocta-3,5,7-trien-1-ol is sourced from PubChem (CID 89074756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).