2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol

C12H22S2 — CID 140575224

IUPAC2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol
SMILESC=CC1CCC(CCS)(CCS)CC1
InChIInChI=1S/C12H22S2/c1-2-11-3-5-12(6-4-11,7-9-13)8-10-14/h2,11,13-14H,1,3-10H2
InChIKeyXIEARBRBPVMOOA-UHFFFAOYSA-N
MW230.44 g/mol
LogP3.99
Rot. Bonds5

About 2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol

2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol (PubChem CID 140575224) has the molecular formula C12H22S2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol.

Molecular Properties

Compound Name2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol
PubChem CID140575224
Molecular FormulaC12H22S2
Molecular Weight230.44 g/mol
Exact Mass230.12
IUPAC Name2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol
SMILESC=CC1CCC(CCS)(CCS)CC1
InChIInChI=1S/C12H22S2/c1-2-11-3-5-12(6-4-11,7-9-13)8-10-14/h2,11,13-14H,1,3-10H2
InChIKeyXIEARBRBPVMOOA-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 53.99
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 2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Allylcyclohexanethiol
CID 12396254
2-Non-8-enyl-2-(sulfanylmethyl)propane-1,3-dithiol
CID 11536440
3-(1-ethylcyclohexyl)-3H-dithiole
CID 21972074
3-(1-ethenylcyclohexyl)-3H-dithiole
CID 22728351
2-[1,2-Bis(ethenyl)cyclohexyl]ethanethiol
CID 87126605
2-[2,2-Bis(ethenyl)cyclohexyl]ethanethiol
CID 87126606
2-[2-Ethenyl-2-(2-sulfanylethyl)cyclohexyl]ethanethiol
CID 87126665
3-(1-methylcyclohexyl)-3H-dithiole
CID 87392350
1-[2,2-Bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol
CID 88750780
4-Cyclohexylhexa-1,5-diene-3-thiol
CID 123989956
3-(4-Prop-2-enylcyclohexyl)prop-1-ene-1-thiol
CID 126693272
(Z)-4-(4-ethenylcyclohexyl)but-2-ene-1-thiol
CID 126693400

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol?
The IUPAC name of 2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol (CID 140575224) is 2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol.
What is the SMILES notation for 2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol?
The canonical SMILES for 2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol is C=CC1CCC(CCS)(CCS)CC1.
What is the InChIKey of 2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol?
The InChIKey is XIEARBRBPVMOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S2/c1-2-11-3-5-12(6-4-11,7-9-13)8-10-14/h2,11,13-14H,1,3-10H2.
What are the key properties of 2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol?
2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol has a molecular weight of 230.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethenyl-1-(2-sulfanylethyl)cyclohexyl]ethanethiol is sourced from PubChem (CID 140575224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).