2-(2-methylpropyl)cyclohexene-1-thiol

C10H18S — CID 87530225

IUPAC2-(2-methylpropyl)cyclohexene-1-thiol
SMILESCC(C)CC1=C(S)CCCC1
InChIInChI=1S/C10H18S/c1-8(2)7-9-5-3-4-6-10(9)11/h8,11H,3-7H2,1-2H3
InChIKeyHVOOHGWUHPNXRJ-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.79
Rot. Bonds2

About 2-(2-methylpropyl)cyclohexene-1-thiol

2-(2-methylpropyl)cyclohexene-1-thiol (PubChem CID 87530225) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2-(2-methylpropyl)cyclohexene-1-thiol.

Molecular Properties

Compound Name2-(2-methylpropyl)cyclohexene-1-thiol
PubChem CID87530225
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2-(2-methylpropyl)cyclohexene-1-thiol
SMILESCC(C)CC1=C(S)CCCC1
InChIInChI=1S/C10H18S/c1-8(2)7-9-5-3-4-6-10(9)11/h8,11H,3-7H2,1-2H3
InChIKeyHVOOHGWUHPNXRJ-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-methylpropyl)cyclohexene-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 2-(2-methylpropyl)cyclohexene-1-thiol?
The IUPAC name of 2-(2-methylpropyl)cyclohexene-1-thiol (CID 87530225) is 2-(2-methylpropyl)cyclohexene-1-thiol.
What is the SMILES notation for 2-(2-methylpropyl)cyclohexene-1-thiol?
The canonical SMILES for 2-(2-methylpropyl)cyclohexene-1-thiol is CC(C)CC1=C(S)CCCC1.
What is the InChIKey of 2-(2-methylpropyl)cyclohexene-1-thiol?
The InChIKey is HVOOHGWUHPNXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-8(2)7-9-5-3-4-6-10(9)11/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)cyclohexene-1-thiol?
2-(2-methylpropyl)cyclohexene-1-thiol has a molecular weight of 170.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)cyclohexene-1-thiol is sourced from PubChem (CID 87530225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).