![5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/487/487033-83-0.png)
5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol (CAS 487033-83-0) is a chemical compound with molecular formula C16H13N5O2S and molecular weight 339.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-4-[(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-((4-nitrobenzylidene)amino)-5-(p-tolyl)-4H-1,2,4-triazole-3-thiol, 3-(4-methylphenyl)-4-[(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1Z)-2-(4-nitrophenyl)-1-azavinyl]-5-(4-methylphenyl)-1,2,4-triazole-3-thio l, 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C16H13N5O2S |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 3.70651 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.079 |
| Heavy Atoms | 24 |
| Complexity | 955.3829 |
Chemical Identifiers
| CAS Number | 487033-83-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol (CAS 487033-83-0), with molecular formula C16H13N5O2S and molecular weight 339.08 g/mol. IUPAC: 3-(4-methylphenyl)-4-[(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.70651 indicates that 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol 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 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol is 487033-83-0.
What is the molecular formula of 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol is C16H13N5O2S.
What is the molecular weight of 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol is 339.08 g/mol.
Where can I buy 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-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 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylphenyl)-4-[(4-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.