1-cyclohexylethenethiol

C8H14S — CID 144910815

IUPAC1-cyclohexylethenethiol
SMILESC=C(S)C1CCCCC1
InChIInChI=1S/C8H14S/c1-7(9)8-5-3-2-4-6-8/h8-9H,1-6H2
InChIKeyZSZOPJLFRFUROV-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.01
Rot. Bonds1

About 1-cyclohexylethenethiol

1-cyclohexylethenethiol (PubChem CID 144910815) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-cyclohexylethenethiol.

Molecular Properties

Compound Name1-cyclohexylethenethiol
PubChem CID144910815
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-cyclohexylethenethiol
SMILESC=C(S)C1CCCCC1
InChIInChI=1S/C8H14S/c1-7(9)8-5-3-2-4-6-8/h8-9H,1-6H2
InChIKeyZSZOPJLFRFUROV-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-Methylidenecyclohexyl)methanethiol
CID 15633292
CID 134859891
CID 134859891
1-Cyclohexylethene-1,2-dithiol
CID 72542979
2-Ethenylcyclohexane-1,1-dithiol
CID 87122565
1-Ethenylcyclohexane-1-thiol
CID 87316864
1-Prop-2-enylcyclohexane-1-thiol
CID 87317164
2-Ethenylcyclohexane-1-thiol
CID 88542898
4-Ethenylcyclohexane-1-thiol
CID 89197904
4-Methyl-2,5-dimethylidenecyclohexane-1-thiol
CID 123665007
2,5-Dimethyl-4-methylidenecyclohexane-1-thione
CID 129157613
Ethane;5-methyl-2-methylidenecyclohexane-1-thione
CID 141802422
1-Methyl-4-methylidenecyclohexane-1-thiol
CID 142902741

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethenethiol?
The IUPAC name of 1-cyclohexylethenethiol (CID 144910815) is 1-cyclohexylethenethiol.
What is the SMILES notation for 1-cyclohexylethenethiol?
The canonical SMILES for 1-cyclohexylethenethiol is C=C(S)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethenethiol?
The InChIKey is ZSZOPJLFRFUROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7(9)8-5-3-2-4-6-8/h8-9H,1-6H2.
What are the key properties of 1-cyclohexylethenethiol?
1-cyclohexylethenethiol has a molecular weight of 142.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethenethiol is sourced from PubChem (CID 144910815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).