(2-methylidenecyclohexyl)methanethiol

C8H14S — CID 15633292

IUPAC(2-methylidenecyclohexyl)methanethiol
SMILESC=C1CCCCC1CS
InChIInChI=1S/C8H14S/c1-7-4-2-3-5-8(7)6-9/h8-9H,1-6H2
InChIKeyHKBPFIKMUNWCOV-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.66
Rot. Bonds1

About (2-methylidenecyclohexyl)methanethiol

(2-methylidenecyclohexyl)methanethiol (PubChem CID 15633292) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is (2-methylidenecyclohexyl)methanethiol.

Molecular Properties

Compound Name(2-methylidenecyclohexyl)methanethiol
PubChem CID15633292
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name(2-methylidenecyclohexyl)methanethiol
SMILESC=C1CCCCC1CS
InChIInChI=1S/C8H14S/c1-7-4-2-3-5-8(7)6-9/h8-9H,1-6H2
InChIKeyHKBPFIKMUNWCOV-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-methylidenecyclohexyl)methanethiol 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-methylidenecyclohexyl)methanethiol?
The IUPAC name of (2-methylidenecyclohexyl)methanethiol (CID 15633292) is (2-methylidenecyclohexyl)methanethiol.
What is the SMILES notation for (2-methylidenecyclohexyl)methanethiol?
The canonical SMILES for (2-methylidenecyclohexyl)methanethiol is C=C1CCCCC1CS.
What is the InChIKey of (2-methylidenecyclohexyl)methanethiol?
The InChIKey is HKBPFIKMUNWCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7-4-2-3-5-8(7)6-9/h8-9H,1-6H2.
What are the key properties of (2-methylidenecyclohexyl)methanethiol?
(2-methylidenecyclohexyl)methanethiol 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-methylidenecyclohexyl)methanethiol is sourced from PubChem (CID 15633292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).