![s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate structure](/static/products/6331/6331-47-1.webp)
s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate
TL;DR: s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate (CAS 6331-47-1) is a chemical compound with molecular formula C7H13ClOS2 and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(2-chloroethylsulfanyl)ethyl] propanethioate
Also Known As: s-{2-[(2-chloroethyl)sulfanyl]ethyl} propanethioate, S-(2-((2-chloroethyl)thio)ethyl) propanethioate, S-[2-(2-chloroethylsulfanyl)ethyl] propanethioate
| Molecular Formula | C7H13ClOS2 |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.00963 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 6331-47-1 |
|---|---|
| SMILES | CCC(=O)SCCSCCCl |
| InChIKey | KSZOJDNCPSYTRO-UHFFFAOYSA-N |
Product Overview
s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate (CAS 6331-47-1), with molecular formula C7H13ClOS2 and molecular weight 212.01 g/mol. IUPAC: S-[2-(2-chloroethylsulfanyl)ethyl] propanethioate.
Chemical Property Profile of s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate
Property Insights of s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate. Following Lipinski's Rule of Five, s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate 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-Chloroethyl)sulfanyl]ethyl} propanethioate?
The CAS number of s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate is 6331-47-1.
What is the molecular formula of s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate?
The molecular formula of s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate is C7H13ClOS2.
What is the molecular weight of s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate?
The molecular weight of s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate is 212.01 g/mol.
Where can I buy s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate?
You can request a quote for s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate 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-Chloroethyl)sulfanyl]ethyl} propanethioate?
Yes, KEHONG BIO provides custom synthesis services for s-{2-[(2-Chloroethyl)sulfanyl]ethyl} propanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.