![4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/898/89814-11-9.png)
4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 89814-11-9) 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)-(3-nitrophenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(3-nitrophenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione, 4-[(3-nitrobenzylidene)amino]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione, (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-nitrophenyl)-1-azavinyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiol
| 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 | 931.6955 |
Chemical Identifiers
| CAS Number | 89814-11-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/N2C(=NNC2=S)C3=CN=CC=C3 |
Product Overview
4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 89814-11-9), with molecular formula C14H10N6O2S and molecular weight 326.06 g/mol. IUPAC: 4-[(E)-(3-nitrophenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.79309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol 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-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol is 89814-11-9.
What is the molecular formula of 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol is C14H10N6O2S.
What is the molecular weight of 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol is 326.06 g/mol.
Where can I buy 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-nitrobenzylidene)amino]-5-(3-pyridinyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.