3-methylsulfanylcyclohexan-1-ol

C7H14OS — CID 123410545

IUPAC3-methylsulfanylcyclohexan-1-ol
SMILESCSC1CCCC(O)C1
InChIInChI=1S/C7H14OS/c1-9-7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3
InChIKeyDFLWDNWYHGCEPB-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.65
Rot. Bonds1

About 3-methylsulfanylcyclohexan-1-ol

3-methylsulfanylcyclohexan-1-ol (PubChem CID 123410545) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 3-methylsulfanylcyclohexan-1-ol.

Molecular Properties

Compound Name3-methylsulfanylcyclohexan-1-ol
PubChem CID123410545
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name3-methylsulfanylcyclohexan-1-ol
SMILESCSC1CCCC(O)C1
InChIInChI=1S/C7H14OS/c1-9-7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3
InChIKeyDFLWDNWYHGCEPB-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methylsulfanylcyclohexan-1-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 3-methylsulfanylcyclohexan-1-ol?
The IUPAC name of 3-methylsulfanylcyclohexan-1-ol (CID 123410545) is 3-methylsulfanylcyclohexan-1-ol.
What is the SMILES notation for 3-methylsulfanylcyclohexan-1-ol?
The canonical SMILES for 3-methylsulfanylcyclohexan-1-ol is CSC1CCCC(O)C1.
What is the InChIKey of 3-methylsulfanylcyclohexan-1-ol?
The InChIKey is DFLWDNWYHGCEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-9-7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3.
What are the key properties of 3-methylsulfanylcyclohexan-1-ol?
3-methylsulfanylcyclohexan-1-ol has a molecular weight of 146.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylcyclohexan-1-ol is sourced from PubChem (CID 123410545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).