1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone
TL;DR: 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone (CAS 340981-30-8) is a chemical compound with molecular formula C6H9N3OS and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-5-methylsulfanyl-1,2,4-triazol-1-yl)ethanone
Also Known As: BAS 03712461, 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone, 1-(3-Methyl-5-methylsulfanyl-[1,2,4]triazol-1-yl)-ethanone, 1H-1,2,4-Triazole, 1-acetyl-3-methyl-5-(methylthio)- (9CI)
| Molecular Formula | C6H9N3OS |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | 0.96852 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.04663 |
| Heavy Atoms | 11 |
| Complexity | 281.3548 |
Chemical Identifiers
| CAS Number | 340981-30-8 |
|---|---|
| SMILES | CC1=NN(C(=N1)SC)C(=O)C |
Product Overview
1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone (CAS 340981-30-8), with molecular formula C6H9N3OS and molecular weight 171.05 g/mol. IUPAC: 1-(3-methyl-5-methylsulfanyl-1,2,4-triazol-1-yl)ethanone.
Chemical Property Profile of 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone
Property Insights of 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone
The XLogP value of 0.96852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone. With a topological polar surface area (TPSA) of 47.78 Ų, 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone has 0 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 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone?
The CAS number of 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone is 340981-30-8.
What is the molecular formula of 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone?
The molecular formula of 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone is C6H9N3OS.
What is the molecular weight of 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone?
The molecular weight of 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone is 171.05 g/mol.
Where can I buy 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone?
You can request a quote for 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methyl-5-(methylthio)-1H-1,2,4-triazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.