6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile
TL;DR: 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile (CAS 182127-93-1) is a chemical compound with molecular formula C9H7F3N2S and molecular weight 232.0282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2-methylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 6-methyl-2-(methylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 6-methyl-2-(methylthio)-4-(trifluoromethyl)-, 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile, 6-methyl-2-(methylthio)-4-(trifluoromethyl)nicotinonitrile, 6-methyl-2-(methylsulfanyl)-4-(trifluoromethyl)nicotinonitrile
Technical Specifications
| Molecular Formula | C9H7F3N2S |
| Molecular Weight | 232.0282 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.0282 Da |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
| SMILES | CC1=CC(=C(C(=N1)SC)C#N)C(F)(F)F |
| InChIKey | CEMRDLVLEVMUKB-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile
Property Insights of 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile. Following Lipinski's Rule of Five, 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile 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 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile?
The CAS number of 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile is 182127-93-1.
What is the molecular formula of 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile?
The molecular formula of 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile is C9H7F3N2S.
What is the molecular weight of 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile?
The molecular weight of 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile is 232.0282 g/mol.
Where can I buy 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile?
You can request a quote for 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 6-Methyl-2-(methylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.