S-butyl cyclohexanecarbothioate
TL;DR: S-butyl cyclohexanecarbothioate (CAS 54829-33-3) is a chemical compound with molecular formula C11H20OS and molecular weight 200.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butyl cyclohexanecarbothioate
Also Known As: S-n-butyl cyclohexanecarbothioate, Butylsulfanyl-cyclohexyl-methanone, (butylsulfanyl)(cyclohexyl)methanone, Cyclohexanethiocarboxylic acid S-butyl ester
| Molecular Formula | C11H20OS |
|---|---|
| Molecular Weight | 200.12 g/mol |
| LogP | 3.6266 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.12349 |
| Heavy Atoms | 13 |
| Complexity | 150.16927 |
Chemical Identifiers
| CAS Number | 54829-33-3 |
|---|---|
| SMILES | CCCCSC(=O)C1CCCCC1 |
Product Overview
S-butyl cyclohexanecarbothioate (CAS 54829-33-3), with molecular formula C11H20OS and molecular weight 200.12 g/mol. IUPAC: S-butyl cyclohexanecarbothioate.
Chemical Property Profile of S-butyl cyclohexanecarbothioate
Property Insights of S-butyl cyclohexanecarbothioate
The XLogP value of 3.6266 indicates that S-butyl cyclohexanecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, S-butyl cyclohexanecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-butyl cyclohexanecarbothioate 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 S-butyl cyclohexanecarbothioate?
The CAS number of S-butyl cyclohexanecarbothioate is 54829-33-3.
What is the molecular formula of S-butyl cyclohexanecarbothioate?
The molecular formula of S-butyl cyclohexanecarbothioate is C11H20OS.
What is the molecular weight of S-butyl cyclohexanecarbothioate?
The molecular weight of S-butyl cyclohexanecarbothioate is 200.12 g/mol.
Where can I buy S-butyl cyclohexanecarbothioate?
You can request a quote for S-butyl cyclohexanecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-butyl cyclohexanecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-butyl cyclohexanecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.