![2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide structure](/static/products/792/792944-60-6.png)
2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide
TL;DR: 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide (CAS 792944-60-6) is a chemical compound with molecular formula C12H14N4OS and molecular weight 262.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetamide
Also Known As: BB 0217487, 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide, N-(2-methylphenyl)-2-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)acetamide, 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl )-N-o-tolyl-acetamide, N-(2-methylphenyl)-2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetamide
| Molecular Formula | C12H14N4OS |
|---|---|
| Molecular Weight | 262.09 g/mol |
| LogP | 1.96731 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.08884 |
| Heavy Atoms | 18 |
| Complexity | 629.0028 |
Chemical Identifiers
| CAS Number | 792944-60-6 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CC2=NNC(=S)N2C |
Product Overview
2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide (CAS 792944-60-6), with molecular formula C12H14N4OS and molecular weight 262.09 g/mol. IUPAC: N-(2-methylphenyl)-2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetamide.
Chemical Property Profile of 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide
Property Insights of 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide
The XLogP value of 1.96731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide. Following Lipinski's Rule of Five, 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide has 2 hydrogen bond donor(s) and 3 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-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide?
The CAS number of 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide is 792944-60-6.
What is the molecular formula of 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide?
The molecular formula of 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide is C12H14N4OS.
What is the molecular weight of 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide?
The molecular weight of 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide is 262.09 g/mol.
Where can I buy 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide?
You can request a quote for 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-o-tolyl-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.