![1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one structure](/static/products/6922/692281-07-5.webp)
1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one
TL;DR: 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one (CAS 692281-07-5) is a chemical compound with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one
Also Known As: BAS 05496363, 1-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one, 1-{3-nitro-5-[(4-methylphenyl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetone, AP-853/41543853, 1-(3-nitro-5-(p-tolylthio)-1H-1,2,4-triazol-1-yl)propan-2-one
| Molecular Formula | C12H12N4O3S |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 2.23492 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.06302 |
| Heavy Atoms | 20 |
| Complexity | 651.2221 |
Chemical Identifiers
| CAS Number | 692281-07-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)C)[N+](=O)[O-] |
Product Overview
1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one (CAS 692281-07-5), with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol. IUPAC: 1-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one.
Chemical Property Profile of 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one
Property Insights of 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one
The XLogP value of 2.23492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one. Following Lipinski's Rule of Five, 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one 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 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one?
The CAS number of 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one is 692281-07-5.
What is the molecular formula of 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one?
The molecular formula of 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one is C12H12N4O3S.
What is the molecular weight of 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one?
The molecular weight of 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one is 292.06 g/mol.
Where can I buy 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one?
You can request a quote for 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(4-Methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.