S-tert-Butyl cyclohexanecarbothioate
TL;DR: S-tert-Butyl cyclohexanecarbothioate (CAS 54829-37-7) 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-tert-butyl cyclohexanecarbothioate
Also Known As: S-tert-butyl cyclohexanecarbothioate, cyclohexyl-tert-butylsulfanyl-methanone, S-t-butyl cyclohexanecarbothioate, S-(tert-butyl) cyclohexanecarbothioate, cyclohexanecarbothioic acid S-tert-butyl ester
| Molecular Formula | C11H20OS |
|---|---|
| Molecular Weight | 200.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.12349 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 54829-37-7 |
|---|---|
| SMILES | CC(C)(C)SC(=O)C1CCCCC1 |
| InChIKey | XAQLRTIMENGSOD-UHFFFAOYSA-N |
Product Overview
S-tert-Butyl cyclohexanecarbothioate (CAS 54829-37-7), with molecular formula C11H20OS and molecular weight 200.12 g/mol. IUPAC: S-tert-butyl cyclohexanecarbothioate.
Chemical Property Profile of S-tert-Butyl cyclohexanecarbothioate
Property Insights of S-tert-Butyl cyclohexanecarbothioate
The XLogP value of 3.7 indicates that S-tert-Butyl cyclohexanecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-tert-Butyl cyclohexanecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-tert-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-tert-Butyl cyclohexanecarbothioate?
The CAS number of S-tert-Butyl cyclohexanecarbothioate is 54829-37-7.
What is the molecular formula of S-tert-Butyl cyclohexanecarbothioate?
The molecular formula of S-tert-Butyl cyclohexanecarbothioate is C11H20OS.
What is the molecular weight of S-tert-Butyl cyclohexanecarbothioate?
The molecular weight of S-tert-Butyl cyclohexanecarbothioate is 200.12 g/mol.
Where can I buy S-tert-Butyl cyclohexanecarbothioate?
You can request a quote for S-tert-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-tert-Butyl cyclohexanecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-tert-Butyl cyclohexanecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.