1-(3-methylcyclohexyl)sulfanylpropan-2-ol

C10H20OS — CID 62722079

IUPAC1-(3-methylcyclohexyl)sulfanylpropan-2-ol
SMILESCC(O)CSC1CCCC(C)C1
InChIInChI=1S/C10H20OS/c1-8-4-3-5-10(6-8)12-7-9(2)11/h8-11H,3-7H2,1-2H3
InChIKeyVPQWPRDNAUWUNS-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.68
Rot. Bonds3

About 1-(3-methylcyclohexyl)sulfanylpropan-2-ol

1-(3-methylcyclohexyl)sulfanylpropan-2-ol (PubChem CID 62722079) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)sulfanylpropan-2-ol
PubChem CID62722079
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-(3-methylcyclohexyl)sulfanylpropan-2-ol
SMILESCC(O)CSC1CCCC(C)C1
InChIInChI=1S/C10H20OS/c1-8-4-3-5-10(6-8)12-7-9(2)11/h8-11H,3-7H2,1-2H3
InChIKeyVPQWPRDNAUWUNS-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylcyclohexyl)sulfanylpropan-2-ol 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 1-(3-methylcyclohexyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(3-methylcyclohexyl)sulfanylpropan-2-ol (CID 62722079) is 1-(3-methylcyclohexyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(3-methylcyclohexyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(3-methylcyclohexyl)sulfanylpropan-2-ol is CC(O)CSC1CCCC(C)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)sulfanylpropan-2-ol?
The InChIKey is VPQWPRDNAUWUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-8-4-3-5-10(6-8)12-7-9(2)11/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-(3-methylcyclohexyl)sulfanylpropan-2-ol?
1-(3-methylcyclohexyl)sulfanylpropan-2-ol has a molecular weight of 188.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)sulfanylpropan-2-ol is sourced from PubChem (CID 62722079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).