5-sulfanylcyclohexa-2,4-dien-1-ol

C6H8OS — CID 87117976

IUPAC5-sulfanylcyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=C(S)C1
InChIInChI=1S/C6H8OS/c7-5-2-1-3-6(8)4-5/h1-3,5,7-8H,4H2
InChIKeySBSZPKWEWYDYBB-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.12
Rot. Bonds

About 5-sulfanylcyclohexa-2,4-dien-1-ol

5-sulfanylcyclohexa-2,4-dien-1-ol (PubChem CID 87117976) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 5-sulfanylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-sulfanylcyclohexa-2,4-dien-1-ol
PubChem CID87117976
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name5-sulfanylcyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=C(S)C1
InChIInChI=1S/C6H8OS/c7-5-2-1-3-6(8)4-5/h1-3,5,7-8H,4H2
InChIKeySBSZPKWEWYDYBB-UHFFFAOYSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-sulfanylcyclohexa-2,4-dien-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 5-sulfanylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-sulfanylcyclohexa-2,4-dien-1-ol (CID 87117976) is 5-sulfanylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-sulfanylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-sulfanylcyclohexa-2,4-dien-1-ol is OC1C=CC=C(S)C1.
What is the InChIKey of 5-sulfanylcyclohexa-2,4-dien-1-ol?
The InChIKey is SBSZPKWEWYDYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c7-5-2-1-3-6(8)4-5/h1-3,5,7-8H,4H2.
What are the key properties of 5-sulfanylcyclohexa-2,4-dien-1-ol?
5-sulfanylcyclohexa-2,4-dien-1-ol has a molecular weight of 128.20 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 87117976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).