4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol (CAS 144140-04-5) is a chemical compound with molecular formula C16H13ClN4S and molecular weight 328.05493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-chlorobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol, 4-((4-CHLOROBENZYLIDENE)AMINO)-5-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(1E)-2-(4-chlorophenyl)-1-azavinyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thi ol, 4-[(E)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(4-chlorophenyl)methylidene]amino}-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C16H13ClN4S |
| Molecular Weight | 328.05493 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.05493 Da |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
| SMILES | CC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)Cl |
| InChIKey | OVVHOUUQZCVMOA-VCHYOVAHSA-N |
Chemical Property Profile of 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.3 indicates that 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-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-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-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
What is the CAS number of 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is 144140-04-5.
What is the molecular formula of 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is C16H13ClN4S.
What is the molecular weight of 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol is 328.05493 g/mol.
Where can I buy 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-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-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-((4-Chlorobenzylidene)amino)-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.