5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613230-49-2) is a chemical compound with molecular formula C16H11F3N4S and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-phenyl-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, 5-PHENYL-4-((4-(TRIFLUOROMETHYL)BENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 5-phenyl-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H11F3N4S |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 4.50869 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.06564 |
| Heavy Atoms | 24 |
| Complexity | 908.9907 |
Chemical Identifiers
| CAS Number | 613230-49-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(F)(F)F |
Product Overview
5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613230-49-2), with molecular formula C16H11F3N4S and molecular weight 348.07 g/mol. IUPAC: 3-phenyl-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.50869 indicates that 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-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 45.97 Ų, 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-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-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 613230-49-2.
What is the molecular formula of 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C16H11F3N4S.
What is the molecular weight of 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 348.07 g/mol.
Where can I buy 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-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-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.