2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
TL;DR: 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine (CAS 37526-34-4) is a chemical compound with molecular formula C11H11N3OS and molecular weight 233.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one
Also Known As: 2-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one, 2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one, 2-methyl-3-(methylthio)-6-phenyl-1,2,4-triazin-5(2H)-one, 2-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one #, 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
| Molecular Formula | C11H11N3OS |
|---|---|
| Molecular Weight | 233.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.06229 |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 37526-34-4 |
|---|---|
| SMILES | CN1C(=NC(=O)C(=N1)C2=CC=CC=C2)SC |
| InChIKey | RUJNAAFXBBNNAX-UHFFFAOYSA-N |
Product Overview
2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine (CAS 37526-34-4), with molecular formula C11H11N3OS and molecular weight 233.06 g/mol. IUPAC: 2-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one.
Chemical Property Profile of 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
Property Insights of 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine. Following Lipinski's Rule of Five, 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine has 0 hydrogen bond donor(s) and 3 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-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine?
The CAS number of 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine is 37526-34-4.
What is the molecular formula of 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine?
The molecular formula of 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine is C11H11N3OS.
What is the molecular weight of 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine?
The molecular weight of 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine is 233.06 g/mol.
Where can I buy 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine?
You can request a quote for 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-methylthio-6-phenyl-5-oxo-2,5-dihydro-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.