![4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione structure](/static/products/898/89814-10-8.png)
4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione (CAS 89814-10-8) is a chemical compound with molecular formula C14H10N6O2S and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-nitrophenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[1-(4-Nitro-phenyl)-meth-(E)-ylidene]-amino}-5-pyridin-3-yl-4H-[1,2,4]triazole-3-thiol, 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione, (E)-4-((4-nitrobenzylidene)amino)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(4-nitrophenyl)-1-azavinyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiol, 4-[(4-nitrophenyl)methylideneamino]-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H10N6O2S |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 2.79309 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0586 |
| Heavy Atoms | 23 |
| Complexity | 914.4455 |
Chemical Identifiers
| CAS Number | 89814-10-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione (CAS 89814-10-8), with molecular formula C14H10N6O2S and molecular weight 326.06 g/mol. IUPAC: 4-[(E)-(4-nitrophenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 2.79309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 6 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 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione is 89814-10-8.
What is the molecular formula of 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione is C14H10N6O2S.
What is the molecular weight of 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione is 326.06 g/mol.
Where can I buy 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.