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Ethyl [(4-Chlorophenyl)thio]acetate
TL;DR: Ethyl [(4-Chlorophenyl)thio]acetate (CAS 55168-64-4) is a chemical compound with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chlorophenyl)sulfanylacetate
Also Known As: Ethyl [(4-Chlorophenyl)thio]acetate, Ethyl 2-[(4-chlorophenyl)thio]acetate, Ethyl 2-((4-chlorophenyl)thio)acetate, ethyl 2-(4-chlorophenyl)sulfanylacetate, NCIOpen2_004945
| Molecular Formula | C10H11ClO2S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.01683 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 55168-64-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=CC=C(C=C1)Cl |
| InChIKey | ZXXZYFJTEHVGQY-UHFFFAOYSA-N |
Product Overview
Ethyl [(4-Chlorophenyl)thio]acetate (CAS 55168-64-4), with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol. IUPAC: ethyl 2-(4-chlorophenyl)sulfanylacetate.
Chemical Property Profile of Ethyl [(4-Chlorophenyl)thio]acetate
Property Insights of Ethyl [(4-Chlorophenyl)thio]acetate
The XLogP value of 3.3 indicates that Ethyl [(4-Chlorophenyl)thio]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Ethyl [(4-Chlorophenyl)thio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [(4-Chlorophenyl)thio]acetate 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 [(4-Chlorophenyl)thio]acetate?
The CAS number of Ethyl [(4-Chlorophenyl)thio]acetate is 55168-64-4.
What is the molecular formula of Ethyl [(4-Chlorophenyl)thio]acetate?
The molecular formula of Ethyl [(4-Chlorophenyl)thio]acetate is C10H11ClO2S.
What is the molecular weight of Ethyl [(4-Chlorophenyl)thio]acetate?
The molecular weight of Ethyl [(4-Chlorophenyl)thio]acetate is 230.02 g/mol.
Where can I buy Ethyl [(4-Chlorophenyl)thio]acetate?
You can request a quote for Ethyl [(4-Chlorophenyl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(4-Chlorophenyl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(4-Chlorophenyl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.