N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
TL;DR: N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CAS 6102-15-4) 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.
N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Also Known As: BAS 00512510, BIM-0004244.P001, N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide, acetamide, n-(3-methylphenyl)-2-(4h-1,2,4-triazol-3-ylthio)-, N-m-Tolyl-2-(2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 6102-15-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NC=NN2 |
| InChIKey | NLVYFGVJBUOGTE-UHFFFAOYSA-N |
Product Overview
N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CAS 6102-15-4), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
Chemical Property Profile of N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Property Insights of N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide. Following Lipinski's Rule of Five, N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has 2 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 N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The CAS number of N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is 6102-15-4.
What is the molecular formula of N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The molecular formula of N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is C11H12N4OS.
What is the molecular weight of N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The molecular weight of N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is 248.07 g/mol.
Where can I buy N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
You can request a quote for N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.