(Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol

C12H20S — CID 126693400

IUPAC(Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol
SMILESC=CC1CCC(C/C=C\CS)CC1
InChIInChI=1S/C12H20S/c1-2-11-6-8-12(9-7-11)5-3-4-10-13/h2-4,11-13H,1,5-10H2/b4-3-
InChIKeyOKWGPNVYPUHMKC-ARJAWSKDSA-N
MW196.36 g/mol
LogP3.85
Rot. Bonds4

About (Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol

(Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol (PubChem CID 126693400) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is (Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol.

Molecular Properties

Compound Name(Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol
PubChem CID126693400
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name(Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol
SMILESC=CC1CCC(C/C=C\CS)CC1
InChIInChI=1S/C12H20S/c1-2-11-6-8-12(9-7-11)5-3-4-10-13/h2-4,11-13H,1,5-10H2/b4-3-
InChIKeyOKWGPNVYPUHMKC-ARJAWSKDSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 53.85
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 (Z)-4-(4-ethenylcyclohexyl)but-2-ene-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 (Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol?
The IUPAC name of (Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol (CID 126693400) is (Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol.
What is the SMILES notation for (Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol?
The canonical SMILES for (Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol is C=CC1CCC(C/C=C\CS)CC1.
What is the InChIKey of (Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol?
The InChIKey is OKWGPNVYPUHMKC-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H20S/c1-2-11-6-8-12(9-7-11)5-3-4-10-13/h2-4,11-13H,1,5-10H2/b4-3-.
What are the key properties of (Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol?
(Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol has a molecular weight of 196.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol is sourced from PubChem (CID 126693400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).