3-Methyl-1-Phenyl-6-(Trifluoromethyl)-2H-Pyrazolo[4,5-e]Pyrimidine-4-Thione
[CAS# 102989-83-3]

Identification

• Name: 3-Methyl-1-Phenyl-6-(Trifluoromethyl)-2H-Pyrazolo[4,5-e]Pyrimidine-4-Thione
• Synonyms: 1-Phenyl-3-Methyl-6-Trifluoromethyl-Pyrazolo(3,4-D)Pyrimidine-4(5H)Thione; F-Ppt
• Molecular Formula: C₁₃H₉F₃N₄S
• Molecular Weight: 310.30
• CAS Registry Number: 102989-83-3
• SMILES: C3=C(N1NC(=C2C1=NC(=NC2=S)C(F)(F)F)C)C=CC=C3
• InChI: 1S/C13H9F3N4S/c1-7-9-10(17-12(13(14,15)16)18-11(9)21)20(19-7)8-5-3-2-4-6-8/h2-6,19H,1H3
• InChIKey: OANCKSSPIAVFPA-UHFFFAOYSA-N

Properties

• Density: 1.527g/cm³ (Cal.)
• Boiling point: 343.824°C at 760 mmHg (Cal.)
• Flash point: 161.739°C (Cal.)