![2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone structure](/static/products/6922/692281-65-5.webp)
2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone
TL;DR: 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone (CAS 692281-65-5) is a chemical compound with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone
Also Known As: AP-853/41543842, 2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone, 2-{3-nitro-5-[(4-methylphenyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1-phenylethanone, 2-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)-1-phenylethanone, 2-{5-[(4-methylphenyl)sulfanyl]-3-nitro-1H-1,2,4-triazol-1-yl}-1-phenylethanone
| Molecular Formula | C17H14N4O3S |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 3.52882 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.07867 |
| Heavy Atoms | 25 |
| Complexity | 907.4022 |
Chemical Identifiers
| CAS Number | 692281-65-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone (CAS 692281-65-5), with molecular formula C17H14N4O3S and molecular weight 354.08 g/mol. IUPAC: 2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone.
Chemical Property Profile of 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone
Property Insights of 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone
The XLogP value of 3.52882 indicates that 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone. Following Lipinski's Rule of Five, 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone has 0 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 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone?
The CAS number of 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone is 692281-65-5.
What is the molecular formula of 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone?
The molecular formula of 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone is C17H14N4O3S.
What is the molecular weight of 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone?
The molecular weight of 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone is 354.08 g/mol.
Where can I buy 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone?
You can request a quote for 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.