![N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide structure](/static/products/3113/311317-45-0.webp)
N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
TL;DR: N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide (CAS 311317-45-0) is a chemical compound with molecular formula C7H10N4O2S and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-acetyl-5-methylsulfanyl-1,2,4-triazol-3-yl)acetamide
Also Known As: N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide, BAS 01173351, N-(2-acetyl-5-methylsulfanyl-1,2,4-triazol-3-yl)acetamide, N-(1-acetyl-3-methylthio-1,2,4-triazol-5-yl)acetamide, A1226/0056516
| Molecular Formula | C7H10N4O2S |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.05244 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 311317-45-0 |
|---|---|
| SMILES | CC(=O)NC1=NC(=NN1C(=O)C)SC |
| InChIKey | OWJBGHZPLSUUQR-UHFFFAOYSA-N |
Product Overview
N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide (CAS 311317-45-0), with molecular formula C7H10N4O2S and molecular weight 214.05 g/mol. IUPAC: N-(2-acetyl-5-methylsulfanyl-1,2,4-triazol-3-yl)acetamide.
Chemical Property Profile of N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
Property Insights of N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide. Following Lipinski's Rule of Five, N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide has 1 hydrogen bond donor(s) and 5 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-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The CAS number of N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide is 311317-45-0.
What is the molecular formula of N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The molecular formula of N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide is C7H10N4O2S.
What is the molecular weight of N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The molecular weight of N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide is 214.05 g/mol.
Where can I buy N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
You can request a quote for N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-acetyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.