3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone
TL;DR: 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone (CAS 156112-54-8) is a chemical compound with molecular formula C7H7F3N2OS and molecular weight 224.02312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one
Also Known As: 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone, 8J-537S, 3-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-one, 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one, 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
Technical Specifications
| Molecular Formula | C7H7F3N2OS |
| Molecular Weight | 224.02312 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.02312 Da |
| Heavy Atoms | 14 |
| Complexity | 321.0 |
| SMILES | CN1C(=O)C=C(N=C1SC)C(F)(F)F |
| InChIKey | PBQNVDKEOYJSNU-UHFFFAOYSA-N |
Chemical Property Profile of 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone
Property Insights of 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone. With a topological polar surface area (TPSA) of 58.0 Ų, 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The CAS number of 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone is 156112-54-8.
What is the molecular formula of 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular formula of 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone is C7H7F3N2OS.
What is the molecular weight of 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone?
The molecular weight of 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone is 224.02312 g/mol.
Where can I buy 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone?
You can request a quote for 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone?
Yes, CoreyChem provides custom synthesis services for 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.