1-(Trifluoromethylthio)pyrrolidine-2,5-dione

• Catalog: OFC183267041-2
• CAS: 183267-04-1
• Category: Trifluoromethylthiolation Agents
• Synonyms: 1-[(Trifluoromethyl)Thio]-2,5-Pyrrolidinedione
• Purity: 95%
• MDL Number: MFCD30187362

• IUPAC Name: 1-(trifluoromethylsulfanyl)pyrrolidine-2,5-dione
• InChI: InChI=1S/C5H4F3NO2S/c6-5(7,8)12-9-3(10)1-2-4(9)11/h1-2H2
• InChI Key: XXLNEWKWTZRGKM-UHFFFAOYSA-N
• Isomeric SMILES: C1CC(=O)N(C1=O)SC(F)(F)F

• Molecular Formula: C5H4F3NO2S
• Molecular Weight: 199.15
• Storage: Keep in dark place, inert atmosphere, 2-8 °C

• XLogP3-AA: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 198.99148403 g/mol
• Monoisotopic Mass: 198.99148403 g/mol
• Topological Polar Surface Area: 62.7Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 211