(E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 613248-35-4) 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-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-nitrophenyl)-1-azavinyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol, 4-[(E)-(3-nitrophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-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 | 931.6955 |
Chemical Identifiers
| CAS Number | 613248-35-4 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 613248-35-4), with molecular formula C14H10N6O2S and molecular weight 326.06 g/mol. IUPAC: 4-[(E)-(3-nitrophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.79309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-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 (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol is 613248-35-4.
What is the molecular formula of (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol is C14H10N6O2S.
What is the molecular weight of (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol is 326.06 g/mol.
Where can I buy (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-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 (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-nitrobenzylidene)amino)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.