![S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate structure](/static/products/680/680216-96-0.png)
S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate
TL;DR: S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate (CAS 680216-96-0) is a chemical compound with molecular formula C13H7ClF3NOS and molecular weight 316.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate
Also Known As: S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate, 3-(trifluoromethyl)phenyl 2-chloropyridine-4-carbothioate, (2-chloropyridin-4-yl)({[3-(trifluoromethyl)phenyl]sulfanyl})methanone
| Molecular Formula | C13H7ClF3NOS |
|---|---|
| Molecular Weight | 316.99 g/mol |
| LogP | 4.6863 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.9889 |
| Heavy Atoms | 20 |
| Complexity | 645.50854 |
Chemical Identifiers
| CAS Number | 680216-96-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC(=O)C2=CC(=NC=C2)Cl)C(F)(F)F |
Product Overview
S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate (CAS 680216-96-0), with molecular formula C13H7ClF3NOS and molecular weight 316.99 g/mol. IUPAC: S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate.
Chemical Property Profile of S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate
Property Insights of S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate
The XLogP value of 4.6863 indicates that S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate 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-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate?
The CAS number of S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate is 680216-96-0.
What is the molecular formula of S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate?
The molecular formula of S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate is C13H7ClF3NOS.
What is the molecular weight of S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate?
The molecular weight of S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate is 316.99 g/mol.
Where can I buy S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate?
You can request a quote for S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[3-(trifluoromethyl)phenyl] 2-chloropyridine-4-carbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.