2-(methylsulfanylmethyl)cyclohexan-1-one

C8H14OS — CID 12725340

IUPAC2-(methylsulfanylmethyl)cyclohexan-1-one
SMILESCSCC1CCCCC1=O
InChIInChI=1S/C8H14OS/c1-10-6-7-4-2-3-5-8(7)9/h7H,2-6H2,1H3
InChIKeyHBYZFWQKYGWPLK-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.11
Rot. Bonds2

About 2-(methylsulfanylmethyl)cyclohexan-1-one

2-(methylsulfanylmethyl)cyclohexan-1-one (PubChem CID 12725340) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)cyclohexan-1-one
PubChem CID12725340
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-(methylsulfanylmethyl)cyclohexan-1-one
SMILESCSCC1CCCCC1=O
InChIInChI=1S/C8H14OS/c1-10-6-7-4-2-3-5-8(7)9/h7H,2-6H2,1H3
InChIKeyHBYZFWQKYGWPLK-UHFFFAOYSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(methylsulfanylmethyl)cyclohexan-1-one 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-(methylsulfanylmethyl)cyclohexan-1-one?
The IUPAC name of 2-(methylsulfanylmethyl)cyclohexan-1-one (CID 12725340) is 2-(methylsulfanylmethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(methylsulfanylmethyl)cyclohexan-1-one?
The canonical SMILES for 2-(methylsulfanylmethyl)cyclohexan-1-one is CSCC1CCCCC1=O.
What is the InChIKey of 2-(methylsulfanylmethyl)cyclohexan-1-one?
The InChIKey is HBYZFWQKYGWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-10-6-7-4-2-3-5-8(7)9/h7H,2-6H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)cyclohexan-1-one?
2-(methylsulfanylmethyl)cyclohexan-1-one has a molecular weight of 158.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)cyclohexan-1-one is sourced from PubChem (CID 12725340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).