S-Butyl phenoxythioacetate
TL;DR: S-Butyl phenoxythioacetate (CAS 62170-10-9) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butyl 2-phenoxyethanethioate
Also Known As: S-Butyl phenoxythioacetate, S-butyl 2-phenoxyethanethioate, S-Butyl phenoxyethanethioate, S-Butyl phenoxyethanethioate #, Ethanethioic acid, phenoxy-, S-butyl ester
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 62170-10-9 |
|---|---|
| SMILES | CCCCSC(=O)COC1=CC=CC=C1 |
| InChIKey | LVIJKGQGENYGHC-UHFFFAOYSA-N |
Product Overview
S-Butyl phenoxythioacetate (CAS 62170-10-9), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: S-butyl 2-phenoxyethanethioate.
Chemical Property Profile of S-Butyl phenoxythioacetate
Property Insights of S-Butyl phenoxythioacetate
The XLogP value of 3.6 indicates that S-Butyl phenoxythioacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, S-Butyl phenoxythioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Butyl 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-Butyl phenoxythioacetate?
The CAS number of S-Butyl phenoxythioacetate is 62170-10-9.
What is the molecular formula of S-Butyl phenoxythioacetate?
The molecular formula of S-Butyl phenoxythioacetate is C12H16O2S.
What is the molecular weight of S-Butyl phenoxythioacetate?
The molecular weight of S-Butyl phenoxythioacetate is 224.09 g/mol.
Where can I buy S-Butyl phenoxythioacetate?
You can request a quote for S-Butyl phenoxythioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Butyl phenoxythioacetate?
Yes, KEHONG BIO provides custom synthesis services for S-Butyl phenoxythioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.