![5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol structure](/static/products/3069/306936-75-4.webp)
5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol
TL;DR: 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol (CAS 306936-75-4) is a chemical compound with molecular formula C14H8ClF3N4S and molecular weight 356.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol, 3-(6-chloropyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione, 5- -4-[3- PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL, 5-(2-Chloropyridin-5-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol, 3-(6-chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H8ClF3N4S |
|---|---|
| Molecular Weight | 356.01 g/mol |
| LogP | 4.66409 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.01102 |
| Heavy Atoms | 23 |
| Complexity | 899.3761 |
Chemical Identifiers
| CAS Number | 306936-75-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NNC2=S)C3=CN=C(C=C3)Cl)C(F)(F)F |
Product Overview
5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol (CAS 306936-75-4), with molecular formula C14H8ClF3N4S and molecular weight 356.01 g/mol. IUPAC: 3-(6-chloro-3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol
Property Insights of 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol
The XLogP value of 4.66409 indicates that 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol has 1 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 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol?
The CAS number of 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol is 306936-75-4.
What is the molecular formula of 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol?
The molecular formula of 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol is C14H8ClF3N4S.
What is the molecular weight of 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol?
The molecular weight of 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol is 356.01 g/mol.
Where can I buy 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol?
You can request a quote for 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(6-Chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4h-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.