2-(2-Chloroethylsulfanyl)ethyl propanoate
TL;DR: 2-(2-Chloroethylsulfanyl)ethyl propanoate (CAS 89693-30-1) is a chemical compound with molecular formula C7H13ClO2S and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethylsulfanyl)ethyl propanoate
Also Known As: 2-(2-chloroethylsulfanyl)ethyl propanoate, 2-Chlor-2'-propinyloxy-diaethylsulfid, 2-((2-chloroethyl)thio)ethyl propionate, Ethanol,2-[(2-chloroethyl)thio]-, 1-propanoate, 2-[(2-CHLOROETHYL)SULFANYL]ETHYL PROPANOATE
| Molecular Formula | C7H13ClO2S |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.03249 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 89693-30-1 |
|---|---|
| SMILES | CCC(=O)OCCSCCCl |
| InChIKey | PUNNSSDZYZKROI-UHFFFAOYSA-N |
Product Overview
2-(2-Chloroethylsulfanyl)ethyl propanoate (CAS 89693-30-1), with molecular formula C7H13ClO2S and molecular weight 196.03 g/mol. IUPAC: 2-(2-chloroethylsulfanyl)ethyl propanoate.
Chemical Property Profile of 2-(2-Chloroethylsulfanyl)ethyl propanoate
Property Insights of 2-(2-Chloroethylsulfanyl)ethyl propanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloroethylsulfanyl)ethyl propanoate. With a topological polar surface area (TPSA) of 51.6 Ų, 2-(2-Chloroethylsulfanyl)ethyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloroethylsulfanyl)ethyl propanoate 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 2-(2-Chloroethylsulfanyl)ethyl propanoate?
The CAS number of 2-(2-Chloroethylsulfanyl)ethyl propanoate is 89693-30-1.
What is the molecular formula of 2-(2-Chloroethylsulfanyl)ethyl propanoate?
The molecular formula of 2-(2-Chloroethylsulfanyl)ethyl propanoate is C7H13ClO2S.
What is the molecular weight of 2-(2-Chloroethylsulfanyl)ethyl propanoate?
The molecular weight of 2-(2-Chloroethylsulfanyl)ethyl propanoate is 196.03 g/mol.
Where can I buy 2-(2-Chloroethylsulfanyl)ethyl propanoate?
You can request a quote for 2-(2-Chloroethylsulfanyl)ethyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloroethylsulfanyl)ethyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloroethylsulfanyl)ethyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.