Cyclohexanone, 3-mercapto-
TL;DR: Cyclohexanone, 3-mercapto- (CAS 33449-52-4) is a chemical compound with molecular formula C6H10OS and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylcyclohexan-1-one
Also Known As: 3-Mercaptocyclohexonone, Cyclohexanone, 3-mercapto-, 3-sulfanylcyclohexan-1-one, 3-sulfanylcyclohexanone, 3-mercaptocyclohexanone
| Molecular Formula | C6H10OS |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.04524 |
| Heavy Atoms | 8 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 33449-52-4 |
|---|---|
| SMILES | C1CC(CC(=O)C1)S |
| InChIKey | CUQXFHSMSQMEKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanone, 3-mercapto- (CAS 33449-52-4), with molecular formula C6H10OS and molecular weight 130.05 g/mol. IUPAC: 3-sulfanylcyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 3-mercapto-
Property Insights of Cyclohexanone, 3-mercapto-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanone, 3-mercapto-. With a topological polar surface area (TPSA) of 18.1 Ų, Cyclohexanone, 3-mercapto- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 3-mercapto- has 1 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 Cyclohexanone, 3-mercapto-?
The CAS number of Cyclohexanone, 3-mercapto- is 33449-52-4.
What is the molecular formula of Cyclohexanone, 3-mercapto-?
The molecular formula of Cyclohexanone, 3-mercapto- is C6H10OS.
What is the molecular weight of Cyclohexanone, 3-mercapto-?
The molecular weight of Cyclohexanone, 3-mercapto- is 130.05 g/mol.
Where can I buy Cyclohexanone, 3-mercapto-?
You can request a quote for Cyclohexanone, 3-mercapto- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 3-mercapto-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 3-mercapto- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.