![3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/488/488716-13-8.png)
3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 488716-13-8) 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-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, (E)-4-((4-nitrobenzylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(4-nitrophenyl)-1-azavinyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thio l, 5-(2-METHYLPHENYL)-4-((4-NITROBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 5-(2-methylphenyl)-4-{[(E)-(4-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| 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 | 972.6329 |
Chemical Identifiers
| CAS Number | 488716-13-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 488716-13-8), with molecular formula C16H13N5O2S and molecular weight 339.08 g/mol. IUPAC: 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 3.70651 indicates that 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione 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 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione 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-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is 488716-13-8.
What is the molecular formula of 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is C16H13N5O2S.
What is the molecular weight of 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione is 339.08 g/mol.
Where can I buy 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-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 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methylphenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.