![2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide structure](/static/products/847/847744-40-5.png)
2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide
TL;DR: 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide (CAS 847744-40-5) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
Also Known As: 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide, 2-[3-mercapto-5-(3-methylphenyl)-4H-1,2,4-triazol-4-yl]acetamide, 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 1.40141 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 613.92914 |
Chemical Identifiers
| CAS Number | 847744-40-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NNC(=S)N2CC(=O)N |
Product Overview
2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide (CAS 847744-40-5), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide.
Chemical Property Profile of 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide
Property Insights of 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide
The XLogP value of 1.40141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide. Following Lipinski's Rule of Five, 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]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-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide?
The CAS number of 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide is 847744-40-5.
What is the molecular formula of 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide?
The molecular formula of 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide is C11H12N4OS.
What is the molecular weight of 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide?
The molecular weight of 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide is 248.07 g/mol.
Where can I buy 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide?
You can request a quote for 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.