2-ethenylcyclohexane-1-thiol

C8H14S — CID 88542898

IUPAC2-ethenylcyclohexane-1-thiol
SMILESC=CC1CCCCC1S
InChIInChI=1S/C8H14S/c1-2-7-5-3-4-6-8(7)9/h2,7-9H,1,3-6H2
InChIKeyCYQUYRUNUWZQIE-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.66
Rot. Bonds1

About 2-ethenylcyclohexane-1-thiol

2-ethenylcyclohexane-1-thiol (PubChem CID 88542898) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2-ethenylcyclohexane-1-thiol.

Molecular Properties

Compound Name2-ethenylcyclohexane-1-thiol
PubChem CID88542898
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2-ethenylcyclohexane-1-thiol
SMILESC=CC1CCCCC1S
InChIInChI=1S/C8H14S/c1-2-7-5-3-4-6-8(7)9/h2,7-9H,1,3-6H2
InChIKeyCYQUYRUNUWZQIE-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenylcyclohexane-1-thiol 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 2-ethenylcyclohexane-1-thiol?
The IUPAC name of 2-ethenylcyclohexane-1-thiol (CID 88542898) is 2-ethenylcyclohexane-1-thiol.
What is the SMILES notation for 2-ethenylcyclohexane-1-thiol?
The canonical SMILES for 2-ethenylcyclohexane-1-thiol is C=CC1CCCCC1S.
What is the InChIKey of 2-ethenylcyclohexane-1-thiol?
The InChIKey is CYQUYRUNUWZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-7-5-3-4-6-8(7)9/h2,7-9H,1,3-6H2.
What are the key properties of 2-ethenylcyclohexane-1-thiol?
2-ethenylcyclohexane-1-thiol has a molecular weight of 142.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcyclohexane-1-thiol is sourced from PubChem (CID 88542898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).