N-(Trifluoromethylthio)phthalimide

• Catalog: OFC719982
• CAS: 719-98-2
• Category: Trifluoromethylthiolation Agents
• Synonyms: 2-(Trifluoromethylsulfanyl)Isoindole-1,3-Dione
• Purity: >98.0%(GC)

• IUPAC Name: 2-(trifluoromethylsulfanyl)isoindole-1,3-dione
• InChI: InChI=1S/C9H4F3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
• InChI Key: CFNSRIIHFLPQCE-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)SC(F)(F)F
• EC Number: 808-179-4
• Reaxys Registry Number: 1464619

• Molecular Formula: C9H4F3NO2S
• Molecular Weight: 247.19
• Melting Point: 111.0-115.0 °C
• Appearance: White to almost white powder to crystal
• Storage: Store under inert gas
• Stability: Air sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 246.99148403 g/mol
• Monoisotopic Mass: 246.99148403 g/mol
• Topological Polar Surface Area: 62.7Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 307

• HS Number: 2930.90.2900