4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one
TL;DR: 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one (CAS 22943-30-2) 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.
4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one
Also Known As: 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one, 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one, F3111-1985, AP-906/41642108, 4-methyl-3-(methylthio)-6-phenyl-1,2,4-triazin-5(4H)-one
| Molecular Formula | C11H11N3OS |
|---|---|
| Molecular Weight | 233.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.06229 |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 22943-30-2 |
|---|---|
| SMILES | CN1C(=O)C(=NN=C1SC)C2=CC=CC=C2 |
| InChIKey | WYTAHFNZFZAURU-UHFFFAOYSA-N |
Product Overview
4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one (CAS 22943-30-2), with molecular formula C11H11N3OS and molecular weight 233.06 g/mol. IUPAC: 4-methyl-3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-one.
Chemical Property Profile of 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one
Property Insights of 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one. Following Lipinski's Rule of Five, 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one 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 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one?
The CAS number of 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one is 22943-30-2.
What is the molecular formula of 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one?
The molecular formula of 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one is C11H11N3OS.
What is the molecular weight of 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one?
The molecular weight of 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one is 233.06 g/mol.
Where can I buy 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one?
You can request a quote for 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.