Ethanethioic acid, S-(pentafluorophenyl) ester
TL;DR: Ethanethioic acid, S-(pentafluorophenyl) ester (CAS 22891-72-1) is a chemical compound with molecular formula C8H3F5OS and molecular weight 241.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2,3,4,5,6-pentafluorophenyl) ethanethioate
Also Known As: ThioaceticacidS- ester, Ethanethioic acid, S-(pentafluorophenyl) ester, Thioacetic acid S-(pentafluorophenyl) ester, Acetic acid, thio-, S-(pentafluorophenyl) ester, S-(2,3,4,5,6-Pentafluorophenyl) ethanethioate
| Molecular Formula | C8H3F5OS |
|---|---|
| Molecular Weight | 241.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.98248 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 22891-72-1 |
|---|---|
| SMILES | CC(=O)SC1=C(C(=C(C(=C1F)F)F)F)F |
| InChIKey | MYBKXXWUHQJEHH-UHFFFAOYSA-N |
Product Overview
Ethanethioic acid, S-(pentafluorophenyl) ester (CAS 22891-72-1), with molecular formula C8H3F5OS and molecular weight 241.98 g/mol. IUPAC: S-(2,3,4,5,6-pentafluorophenyl) ethanethioate.
Chemical Property Profile of Ethanethioic acid, S-(pentafluorophenyl) ester
Property Insights of Ethanethioic acid, S-(pentafluorophenyl) ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, S-(pentafluorophenyl) ester. With a topological polar surface area (TPSA) of 42.4 Ų, Ethanethioic acid, S-(pentafluorophenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, S-(pentafluorophenyl) ester has 0 hydrogen bond donor(s) and 7 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 Ethanethioic acid, S-(pentafluorophenyl) ester?
The CAS number of Ethanethioic acid, S-(pentafluorophenyl) ester is 22891-72-1.
What is the molecular formula of Ethanethioic acid, S-(pentafluorophenyl) ester?
The molecular formula of Ethanethioic acid, S-(pentafluorophenyl) ester is C8H3F5OS.
What is the molecular weight of Ethanethioic acid, S-(pentafluorophenyl) ester?
The molecular weight of Ethanethioic acid, S-(pentafluorophenyl) ester is 241.98 g/mol.
Where can I buy Ethanethioic acid, S-(pentafluorophenyl) ester?
You can request a quote for Ethanethioic acid, S-(pentafluorophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, S-(pentafluorophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, S-(pentafluorophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.