2-(Methylthio)-4-(trifluoromethyl)pyrimidine
TL;DR: 2-(Methylthio)-4-(trifluoromethyl)pyrimidine (CAS 136547-20-1) is a chemical compound with molecular formula C6H5F3N2S and molecular weight 194.01256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylsulfanyl-4-(trifluoromethyl)pyrimidine
Also Known As: 2-(methylthio)-4-(trifluoromethyl)pyrimidine, 2-methylsulfanyl-4-(trifluoromethyl)pyrimidine, 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine, 4-Trifluoromethyl-2-methylthiopyrimidine, 2-methylsulfanyl-4-trifluoromethyl-pyrimidine
Technical Specifications
| Molecular Formula | C6H5F3N2S |
| Molecular Weight | 194.01256 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.01256 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| SMILES | CSC1=NC=CC(=N1)C(F)(F)F |
| InChIKey | RPTPMLRDQUSBRC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Methylthio)-4-(trifluoromethyl)pyrimidine
Property Insights of 2-(Methylthio)-4-(trifluoromethyl)pyrimidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-4-(trifluoromethyl)pyrimidine. With a topological polar surface area (TPSA) of 51.1 Ų, 2-(Methylthio)-4-(trifluoromethyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)-4-(trifluoromethyl)pyrimidine 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 2-(Methylthio)-4-(trifluoromethyl)pyrimidine?
The CAS number of 2-(Methylthio)-4-(trifluoromethyl)pyrimidine is 136547-20-1.
What is the molecular formula of 2-(Methylthio)-4-(trifluoromethyl)pyrimidine?
The molecular formula of 2-(Methylthio)-4-(trifluoromethyl)pyrimidine is C6H5F3N2S.
What is the molecular weight of 2-(Methylthio)-4-(trifluoromethyl)pyrimidine?
The molecular weight of 2-(Methylthio)-4-(trifluoromethyl)pyrimidine is 194.01256 g/mol.
Where can I buy 2-(Methylthio)-4-(trifluoromethyl)pyrimidine?
You can request a quote for 2-(Methylthio)-4-(trifluoromethyl)pyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Methylthio)-4-(trifluoromethyl)pyrimidine?
Yes, CoreyChem provides custom synthesis services for 2-(Methylthio)-4-(trifluoromethyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.