2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
TL;DR: 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide (CAS 331982-32-2) 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-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
Also Known As: SDCCGMLS-0061044.P002, 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide, BAS 00728976, BIM-0013665.P001, 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 331982-32-2 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)NC2=CC=CC=C2 |
| InChIKey | XJVMERXYZKZANS-UHFFFAOYSA-N |
Product Overview
2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide (CAS 331982-32-2), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
Property Insights of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide 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 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The CAS number of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is 331982-32-2.
What is the molecular formula of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The molecular formula of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is C11H12N4OS.
What is the molecular weight of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
The molecular weight of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide is 248.07 g/mol.
Where can I buy 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
You can request a quote for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.