4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 1676095-52-5) is a chemical compound with molecular formula C15H10ClFN4S and molecular weight 332.02988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-((2-CHLORO-6-FLUOROBENZYLIDENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione, 4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C15H10ClFN4S |
| Molecular Weight | 332.02988 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.02988 Da |
| Heavy Atoms | 22 |
| Complexity | 478.0 |
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC=C3Cl)F |
| InChIKey | BOZXHBBXDMIVJD-GIJQJNRQSA-N |
Chemical Property Profile of 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.0 indicates that 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-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
What is the CAS number of 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 1676095-52-5.
What is the molecular formula of 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is C15H10ClFN4S.
What is the molecular weight of 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 332.02988 g/mol.
Where can I buy 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-((2-Chloro-6-fluorobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.