401649-63-6
| Name | 4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-6-(4-METHOXYPHENYL)-2-THIOXOPYRIDINE-3-CARBONITRILE |
| CAS | 401649-63-6 |
| Molecular Formula | C14H9F3N2OS |
| MDL Number | MFCD03305676 |
| Molecular Weight | 310.29 |
| MOL File | 401649-63-6.mol |
Chemical Properties
| Melting point | 215-217 °C(Solv: ethanol (64-17-5)) |
| Boiling point | 354.2±52.0 °C(Predicted) |
| density | 1.43±0.1 g/cm3(Predicted) |
| form | solid |
| pka | 5.88±0.70(Predicted) |
| InChI | 1S/C14H9F3N2OS/c1-20-9-4-2-8(3-5-9)12-6-11(14(15,16)17)10(7-18)13(21)19-12/h2-6H,1H3,(H,19,21) |
| InChIKey | WBGOVCCHVXTCRW-UHFFFAOYSA-N |
| SMILES | COC1=CC=C(C2=CC(C(F)(F)F)=C(C(S)=N2)C#N)C=C1 |