![2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one structure](/static/products/1286/128626-83-5.webp)
2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
TL;DR: 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CAS 128626-83-5) is a chemical compound with molecular formula C12H10N4OS and molecular weight 258.05753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfanyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 2-methylsulfanyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 2-(methylsulfanyl)-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 2-(methylsulfanyl)-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-(methylthio)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Technical Specifications
| Molecular Formula | C12H10N4OS |
| Molecular Weight | 258.05753 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 82.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.05753 Da |
| Heavy Atoms | 18 |
| Complexity | 463.0 |
| SMILES | CSC1=NC2=NC(=CC(=O)N2N1)C3=CC=CC=C3 |
| InChIKey | GSHMWZICZVJZCJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Property Insights of 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The CAS number of 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is 128626-83-5.
What is the molecular formula of 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The molecular formula of 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is C12H10N4OS.
What is the molecular weight of 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The molecular weight of 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is 258.05753 g/mol.
Where can I buy 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
You can request a quote for 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
Yes, CoreyChem provides custom synthesis services for 2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.