2-cyclohexylsulfanyl-1-cyclopropylethanol

C11H20OS — CID 65139988

IUPAC2-cyclohexylsulfanyl-1-cyclopropylethanol
SMILESOC(CSC1CCCCC1)C1CC1
InChIInChI=1S/C11H20OS/c12-11(9-6-7-9)8-13-10-4-2-1-3-5-10/h9-12H,1-8H2
InChIKeyLGDLFNWKWVGWGZ-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.82
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-cyclopropylethanol

2-cyclohexylsulfanyl-1-cyclopropylethanol (PubChem CID 65139988) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-cyclopropylethanol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-cyclopropylethanol
PubChem CID65139988
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-cyclohexylsulfanyl-1-cyclopropylethanol
SMILESOC(CSC1CCCCC1)C1CC1
InChIInChI=1S/C11H20OS/c12-11(9-6-7-9)8-13-10-4-2-1-3-5-10/h9-12H,1-8H2
InChIKeyLGDLFNWKWVGWGZ-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexylsulfanyl-1-cyclopropylethanol 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-cyclohexylsulfanyl-1-cyclopropylethanol?
The IUPAC name of 2-cyclohexylsulfanyl-1-cyclopropylethanol (CID 65139988) is 2-cyclohexylsulfanyl-1-cyclopropylethanol.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-cyclopropylethanol?
The canonical SMILES for 2-cyclohexylsulfanyl-1-cyclopropylethanol is OC(CSC1CCCCC1)C1CC1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-cyclopropylethanol?
The InChIKey is LGDLFNWKWVGWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c12-11(9-6-7-9)8-13-10-4-2-1-3-5-10/h9-12H,1-8H2.
What are the key properties of 2-cyclohexylsulfanyl-1-cyclopropylethanol?
2-cyclohexylsulfanyl-1-cyclopropylethanol has a molecular weight of 200.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-cyclopropylethanol is sourced from PubChem (CID 65139988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).