4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 955874-79-0) is a chemical compound with molecular formula C18H10ClF4N5S and molecular weight 439.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione, 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C18H10ClF4N5S |
|---|---|
| Molecular Weight | 439.03 g/mol |
| LogP | 5.79829 |
| Topological Polar Surface Area | 62.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.02817 |
| Heavy Atoms | 29 |
| Complexity | 1240.3678 |
Chemical Identifiers
| CAS Number | 955874-79-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=C2)C3=NNC(=S)N3C4=C(C=CC(=C4)C(F)(F)F)Cl)F |
Product Overview
4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 955874-79-0), with molecular formula C18H10ClF4N5S and molecular weight 439.03 g/mol. IUPAC: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.79829 indicates that 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 955874-79-0.
What is the molecular formula of 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is C18H10ClF4N5S.
What is the molecular weight of 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 439.03 g/mol.
Where can I buy 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-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 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-chloro-5-(trifluoromethyl)phenyl)-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.