![S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate structure](/static/products/902/90202-39-4.png)
S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate
TL;DR: S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate (CAS 90202-39-4) is a chemical compound with molecular formula C8H15ClOS2 and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate
Also Known As: S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate, S-{2-[(2-chloroethyl)sulfanyl]ethyl} butanethioate
| Molecular Formula | C8H15ClOS2 |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.02528 |
| Heavy Atoms | 12 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 90202-39-4 |
|---|---|
| SMILES | CCCC(=O)SCCSCCCl |
| InChIKey | CYENVVQYDFOQGM-UHFFFAOYSA-N |
Product Overview
S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate (CAS 90202-39-4), with molecular formula C8H15ClOS2 and molecular weight 226.03 g/mol. IUPAC: S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate.
Chemical Property Profile of S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate
Property Insights of S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate. Following Lipinski's Rule of Five, S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate has 0 hydrogen bond donor(s) and 3 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-[2-(2-chloroethylsulfanyl)ethyl] butanethioate?
The CAS number of S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate is 90202-39-4.
What is the molecular formula of S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate?
The molecular formula of S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate is C8H15ClOS2.
What is the molecular weight of S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate?
The molecular weight of S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate is 226.03 g/mol.
Where can I buy S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate?
You can request a quote for S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[2-(2-chloroethylsulfanyl)ethyl] butanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.