4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione (CAS 133846-97-6) is a chemical compound with molecular formula C14H11N5S and molecular weight 281.07352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-benzylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione, 4-(benzylideneamino)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, 4-((1E)-2-phenyl-1-azavinyl)-5-(4-pyridyl)-1,2,4-triazole-3-thiol, 4-[(E)-benzylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, 4-[(phenylmethylene)amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Technical Specifications
| Molecular Formula | C14H11N5S |
| Molecular Weight | 281.07352 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.07352 Da |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
| SMILES | C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=NC=C3 |
| InChIKey | OJQGCXWAUSDJNL-MHWRWJLKSA-N |
Chemical Property Profile of 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione 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-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione is 133846-97-6.
What is the molecular formula of 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione is C14H11N5S.
What is the molecular weight of 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione is 281.07352 g/mol.
Where can I buy 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 4-(benzalamino)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.