2-(Methylthio)cyclohexanone
TL;DR: 2-(Methylthio)cyclohexanone (CAS 52190-35-9) is a chemical compound with molecular formula C7H12OS and molecular weight 144.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylcyclohexan-1-one
Also Known As: 2-(Methylthio)cyclohexanone, 2-(methylsulfanyl)cyclohexan-1-one, 2- cyclohexanone, 2-methylsulfanylcyclohexan-1-one, alpha-methylthiocyclohexanone
| Molecular Formula | C7H12OS |
|---|---|
| Molecular Weight | 144.06 g/mol |
| LogP | 1.8611 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.06088 |
| Heavy Atoms | 9 |
| Complexity | 111.48378 |
Chemical Identifiers
| CAS Number | 52190-35-9 |
|---|---|
| SMILES | CSC1CCCCC1=O |
Product Overview
2-(Methylthio)cyclohexanone (CAS 52190-35-9), with molecular formula C7H12OS and molecular weight 144.06 g/mol. IUPAC: 2-methylsulfanylcyclohexan-1-one.
Chemical Property Profile of 2-(Methylthio)cyclohexanone
Property Insights of 2-(Methylthio)cyclohexanone
The XLogP value of 1.8611 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)cyclohexanone. With a topological polar surface area (TPSA) of 17.07 Ų, 2-(Methylthio)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)cyclohexanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Methylthio)cyclohexanone?
The CAS number of 2-(Methylthio)cyclohexanone is 52190-35-9.
What is the molecular formula of 2-(Methylthio)cyclohexanone?
The molecular formula of 2-(Methylthio)cyclohexanone is C7H12OS.
What is the molecular weight of 2-(Methylthio)cyclohexanone?
The molecular weight of 2-(Methylthio)cyclohexanone is 144.06 g/mol.
Where can I buy 2-(Methylthio)cyclohexanone?
You can request a quote for 2-(Methylthio)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.