(E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol (CAS 1582745-31-0) is a chemical compound with molecular formula C16H13FN4S and molecular weight 312.0845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(3-fluorophenyl)methylideneamino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-fluorophenyl)-1-azavinyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thi ol, 4-[(E)-(3-fluorophenyl)methylideneamino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C16H13FN4S |
| Molecular Weight | 312.0845 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0845 Da |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
| SMILES | CC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)F |
| InChIKey | KXYMLWSLVMPMKV-VCHYOVAHSA-N |
Chemical Property Profile of (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.7 indicates that (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-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 (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-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 (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol is 1582745-31-0.
What is the molecular formula of (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol is C16H13FN4S.
What is the molecular weight of (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol is 312.0845 g/mol.
Where can I buy (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-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 (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for (E)-4-((3-fluorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.