Pentafluorophenyl Chlorothionoformate
TL;DR: Pentafluorophenyl Chlorothionoformate (CAS 135192-53-9) is a chemical compound with molecular formula C7ClF5OS and molecular weight 261.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2,3,4,5,6-pentafluorophenyl) chloromethanethioate
Also Known As: Pentafluorophenyl chlorothionoformate, C7ClF5OS, pentafluorophenylchlorothionoformate, C6F5OCSCl, Perfluorophenyl chlorothioformate
| Molecular Formula | C7ClF5OS |
|---|---|
| Molecular Weight | 261.93 g/mol |
| LogP | 3.2846 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.92786 |
| Heavy Atoms | 15 |
| Complexity | 406.8741 |
Chemical Identifiers
| CAS Number | 135192-53-9 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=S)Cl |
Product Overview
Pentafluorophenyl Chlorothionoformate (CAS 135192-53-9), with molecular formula C7ClF5OS and molecular weight 261.93 g/mol. IUPAC: O-(2,3,4,5,6-pentafluorophenyl) chloromethanethioate.
Chemical Property Profile of Pentafluorophenyl Chlorothionoformate
Property Insights of Pentafluorophenyl Chlorothionoformate
The XLogP value of 3.2846 indicates that Pentafluorophenyl Chlorothionoformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, Pentafluorophenyl Chlorothionoformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorophenyl Chlorothionoformate has 0 hydrogen bond donor(s) and 2 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 Pentafluorophenyl Chlorothionoformate?
The CAS number of Pentafluorophenyl Chlorothionoformate is 135192-53-9.
What is the molecular formula of Pentafluorophenyl Chlorothionoformate?
The molecular formula of Pentafluorophenyl Chlorothionoformate is C7ClF5OS.
What is the molecular weight of Pentafluorophenyl Chlorothionoformate?
The molecular weight of Pentafluorophenyl Chlorothionoformate is 261.93 g/mol.
Where can I buy Pentafluorophenyl Chlorothionoformate?
You can request a quote for Pentafluorophenyl Chlorothionoformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluorophenyl Chlorothionoformate?
Yes, KEHONG BIO provides custom synthesis services for Pentafluorophenyl Chlorothionoformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.