![Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate structure](/static/products/999/999-50-8.png)
Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate
TL;DR: Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate (CAS 999-50-8) 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.
ethyl 3-(2-chloroethylsulfanyl)propanoate
Also Known As: ETHYL3- PROPANOATE, ethyl 3-[(2-chloroethyl)sulfanyl]propanoate, ethyl 3-((2-chloroethyl)thio)propanoate, ethyl 3-(2-chloroethylsulfanyl)propanoate
| Molecular Formula | C7H13ClO2S |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 1.7 |
| 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 | 999-50-8 |
|---|---|
| SMILES | CCOC(=O)CCSCCCl |
| InChIKey | NFSQPUZTLJKIQR-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate (CAS 999-50-8), with molecular formula C7H13ClO2S and molecular weight 196.03 g/mol. IUPAC: ethyl 3-(2-chloroethylsulfanyl)propanoate.
Chemical Property Profile of Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate
Property Insights of Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate. With a topological polar surface area (TPSA) of 51.6 Ų, Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[(2-chloroethyl)sulfanyl]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 Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate?
The CAS number of Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate is 999-50-8.
What is the molecular formula of Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate?
The molecular formula of Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate is C7H13ClO2S.
What is the molecular weight of Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate?
The molecular weight of Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate is 196.03 g/mol.
Where can I buy Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate?
You can request a quote for Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(2-chloroethyl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.