3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole
TL;DR: 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole (CAS 219611-90-2) is a chemical compound with molecular formula C11H11N5O2S and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: J2.667.161B, 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole, AF-962/31192015, 5-ethyl-4-[(E)-[(4-nitrophenyl)methylidene]amino]-4H-1,2,4-triazole-3-thiol, 3-ethyl-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C11H11N5O2S |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 2.29349 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.06335 |
| Heavy Atoms | 19 |
| Complexity | 671.13916 |
Chemical Identifiers
| CAS Number | 219611-90-2 |
|---|---|
| SMILES | CCC1=NNC(=S)N1/N=C/C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole (CAS 219611-90-2), with molecular formula C11H11N5O2S and molecular weight 277.06 g/mol. IUPAC: 3-ethyl-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole
Property Insights of 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole
The XLogP value of 2.29349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole. The TPSA of 89.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole has 1 hydrogen bond donor(s) and 5 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 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole?
The CAS number of 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole is 219611-90-2.
What is the molecular formula of 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole?
The molecular formula of 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole is C11H11N5O2S.
What is the molecular weight of 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole?
The molecular weight of 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole is 277.06 g/mol.
Where can I buy 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole?
You can request a quote for 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.