3-Chloro-5-(trifluoromethyl)pyridine-2-thiol
TL;DR: 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol (CAS 7689-50-1) is a chemical compound with molecular formula C6H3ClF3NS and molecular weight 212.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(trifluoromethyl)-1H-pyridine-2-thione
Also Known As: 3-chloro-5-(trifluoromethyl)pyridine-2-thiol, Maybridge1_008679, 3-chloro-5-(trifluoromethyl)-2-pyridinylhydrosulfide, 3-chloro-5-(trifluoromethyl)-1H-pyridine-2-thione, 9344AE
| Molecular Formula | C6H3ClF3NS |
|---|---|
| Molecular Weight | 212.96 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.96268 |
| Heavy Atoms | 12 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 7689-50-1 |
|---|---|
| SMILES | C1=C(C(=S)NC=C1C(F)(F)F)Cl |
| InChIKey | TZCNTBWWNBGRFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-5-(trifluoromethyl)pyridine-2-thiol (CAS 7689-50-1), with molecular formula C6H3ClF3NS and molecular weight 212.96 g/mol. IUPAC: 3-chloro-5-(trifluoromethyl)-1H-pyridine-2-thione.
Chemical Property Profile of 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol
Property Insights of 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol. With a topological polar surface area (TPSA) of 44.1 Ų, 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol has 1 hydrogen bond donor(s) and 4 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 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol?
The CAS number of 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol is 7689-50-1.
What is the molecular formula of 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol?
The molecular formula of 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol is C6H3ClF3NS.
What is the molecular weight of 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol?
The molecular weight of 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol is 212.96 g/mol.
Where can I buy 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol?
You can request a quote for 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.