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N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
TL;DR: N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide (CAS 110984-62-8) is a chemical compound with molecular formula C5H8N4OS and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
Also Known As: ChemDiv1_000885, N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide, N-(3-(Methylthio)-1H-1,2,4-triazol-5-yl)acetamide, N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide, N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]acetamide
| Molecular Formula | C5H8N4OS |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 0.485 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.04189 |
| Heavy Atoms | 11 |
| Complexity | 258.74002 |
Chemical Identifiers
| CAS Number | 110984-62-8 |
|---|---|
| SMILES | CC(=O)NC1=NC(=NN1)SC |
Product Overview
N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide (CAS 110984-62-8), with molecular formula C5H8N4OS and molecular weight 172.04 g/mol. IUPAC: N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide.
Chemical Property Profile of N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
Property Insights of N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
The XLogP value of 0.485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide. Following Lipinski's Rule of Five, N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]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-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The CAS number of N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide is 110984-62-8.
What is the molecular formula of N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The molecular formula of N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide is C5H8N4OS.
What is the molecular weight of N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
The molecular weight of N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide is 172.04 g/mol.
Where can I buy N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
You can request a quote for N-[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-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.