S-Ethyl phenoxythioacetate
TL;DR: S-Ethyl phenoxythioacetate (CAS 29279-13-8) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 2-phenoxyethanethioate
Also Known As: S-Ethyl phenoxythioacetate, S-Ethyl phenoxyethanethioate, S-ethyl 2-phenoxyethanethioate, S-Ethyl phenoxyethanethioate #, Ethanethioic acid, phenoxy-, S-ethyl ester
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 29279-13-8 |
|---|---|
| SMILES | CCSC(=O)COC1=CC=CC=C1 |
| InChIKey | DOEDWEOOAOQGFI-UHFFFAOYSA-N |
Product Overview
S-Ethyl phenoxythioacetate (CAS 29279-13-8), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: S-ethyl 2-phenoxyethanethioate.
Chemical Property Profile of S-Ethyl phenoxythioacetate
Property Insights of S-Ethyl phenoxythioacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Ethyl phenoxythioacetate. With a topological polar surface area (TPSA) of 51.6 Ų, S-Ethyl phenoxythioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Ethyl phenoxythioacetate 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-Ethyl phenoxythioacetate?
The CAS number of S-Ethyl phenoxythioacetate is 29279-13-8.
What is the molecular formula of S-Ethyl phenoxythioacetate?
The molecular formula of S-Ethyl phenoxythioacetate is C10H12O2S.
What is the molecular weight of S-Ethyl phenoxythioacetate?
The molecular weight of S-Ethyl phenoxythioacetate is 196.06 g/mol.
Where can I buy S-Ethyl phenoxythioacetate?
You can request a quote for S-Ethyl phenoxythioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl phenoxythioacetate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl phenoxythioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.