2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one
TL;DR: 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one (CAS 32564-31-1) is a chemical compound with molecular formula C11H18OS and molecular weight 198.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-methylsulfanyl-5-prop-1-en-2-ylcyclohexan-1-one
Also Known As: 6-methylthio-p-menth-8-en-2-one, 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one, 2-methyl-3-(methylsulfanyl)-5-(prop-1-en-2-yl)cyclohexanone, 2-methyl-3-methylsulfanyl-5-prop-1-en-2-ylcyclohexan-1-one, 2-Methyl-5-(1-methylethenyl)-3-(methylthio)cyclohexanone
| Molecular Formula | C11H18OS |
|---|---|
| Molecular Weight | 198.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.10783 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 32564-31-1 |
|---|---|
| SMILES | CC1C(CC(CC1=O)C(=C)C)SC |
| InChIKey | BVACDZLXQCWKAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one (CAS 32564-31-1), with molecular formula C11H18OS and molecular weight 198.11 g/mol. IUPAC: 2-methyl-3-methylsulfanyl-5-prop-1-en-2-ylcyclohexan-1-one.
Chemical Property Profile of 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one
Property Insights of 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one 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-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one?
The CAS number of 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one is 32564-31-1.
What is the molecular formula of 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one?
The molecular formula of 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one is C11H18OS.
What is the molecular weight of 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one?
The molecular weight of 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one is 198.11 g/mol.
Where can I buy 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one?
You can request a quote for 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(1-methylthio)-3-(methylvinyl)cyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.