1-ethenylcyclohexane-1-thiol

C8H14S — CID 87316864

IUPAC1-ethenylcyclohexane-1-thiol
SMILESC=CC1(S)CCCCC1
InChIInChI=1S/C8H14S/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2
InChIKeyPQIYIYJMEXWKIQ-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.81
Rot. Bonds1

About 1-ethenylcyclohexane-1-thiol

1-ethenylcyclohexane-1-thiol (PubChem CID 87316864) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 1-ethenylcyclohexane-1-thiol.

Molecular Properties

Compound Name1-ethenylcyclohexane-1-thiol
PubChem CID87316864
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name1-ethenylcyclohexane-1-thiol
SMILESC=CC1(S)CCCCC1
InChIInChI=1S/C8H14S/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2
InChIKeyPQIYIYJMEXWKIQ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylcyclohexane-1-thiol?
The IUPAC name of 1-ethenylcyclohexane-1-thiol (CID 87316864) is 1-ethenylcyclohexane-1-thiol.
What is the SMILES notation for 1-ethenylcyclohexane-1-thiol?
The canonical SMILES for 1-ethenylcyclohexane-1-thiol is C=CC1(S)CCCCC1.
What is the InChIKey of 1-ethenylcyclohexane-1-thiol?
The InChIKey is PQIYIYJMEXWKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2.
What are the key properties of 1-ethenylcyclohexane-1-thiol?
1-ethenylcyclohexane-1-thiol has a molecular weight of 142.27 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcyclohexane-1-thiol is sourced from PubChem (CID 87316864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).