Ethyl 2-(Methylsulfanyl)-4-(Trifluoromethyl)-5-Pyrimidinecarboxylate
[CAS# 149771-12-0]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Thiopyrimidine
• Name: Ethyl 2-(Methylsulfanyl)-4-(Trifluoromethyl)-5-Pyrimidinecarboxylate
• Synonyms: ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate; ethyl 2-(methylthio)-4-(trifluoromethyl)pyrimidine-5-carboxylate; Ethyl 4-(trifluoromethyl)-2-(methylthio)pyrimidine-5-carboxylate
• Molecular Formula: C₉H₉F₃N₂O₂S
• Molecular Weight: 266.24
• CAS Registry Number: 149771-12-0
• SMILES: FC(F)(F)c1nc(SC)ncc1C(=O)OCC
• InChI: 1S/C9H9F3N2O2S/c1-3-16-7(15)5-4-13-8(17-2)14-6(5)9(10,11)12/h4H,3H2,1-2H3
• InChIKey: UGTPXLQYOPJVTK-UHFFFAOYSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 337.655°C at 760 mmHg (Cal.)
• Flash point: 158.008°C (Cal.)
• Refractive index: 1.497 (Cal.)