![5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol structure](/static/products/5735/5735-20-6.webp)
5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
TL;DR: 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol (CAS 5735-20-6) is a chemical compound with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methyl-2-nitrophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00603870, 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol, AB00095235-01, 5-(3-methyl-2-nitrophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-(3-methyl-2-nitrophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H12N4O2S |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.06808 |
| Heavy Atoms | 22 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 5735-20-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C2=NNC(=S)N2C3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | TVNYNMOYWJLTCZ-UHFFFAOYSA-N |
Product Overview
5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol (CAS 5735-20-6), with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol. IUPAC: 3-(3-methyl-2-nitrophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
Property Insights of 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 3.4 indicates that 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol is 5735-20-6.
What is the molecular formula of 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol is C15H12N4O2S.
What is the molecular weight of 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol is 312.07 g/mol.
Where can I buy 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-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-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methyl-2-nitro-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.