(E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 1037565-20-0) is a chemical compound with molecular formula C13H11ClN6S and molecular weight 318.04544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(3-chlorophenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-chlorophenyl)-1-azavinyl]-5-(3-methylpyrazol-5-yl)-1,2,4-triazole -3-thiol, 4-[(E)-(3-chlorophenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-chlorophenyl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C13H11ClN6S |
| Molecular Weight | 318.04544 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04544 Da |
| Heavy Atoms | 21 |
| Complexity | 468.0 |
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)Cl |
| InChIKey | MIIXPQPUVHXYQW-VIZOYTHASA-N |
Chemical Property Profile of (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol has 2 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-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 1037565-20-0.
What is the molecular formula of (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is C13H11ClN6S.
What is the molecular weight of (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 318.04544 g/mol.
Where can I buy (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-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-chlorobenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for (E)-4-((3-chlorobenzylidene)amino)-5-(3-methyl-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.