N-Methyl-N-[(trifluoromethyl)thio]-p-toluenesulfonamide

• Catalog: OFC1045822318
• CAS: 1045822-31-8
• Category: Trifluoromethylthiolation Agents
• Synonyms: N,4-Dimethyl-N-(Trifluoromethylsulfanyl)Benzenesulfonamide
• Purity: >98.0%(GC)(N)

• IUPAC Name: N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide
• InChI: InChI=1S/C9H10F3NO2S2/c1-7-3-5-8(6-4-7)17(14,15)13(2)16-9(10,11)12/h3-6H,1-2H3
• InChI Key: IYHCILKSORKFNW-UHFFFAOYSA-N
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)SC(F)(F)F
• EC Number: 843-797-8
• Reaxys Registry Number: 27199071

• Molecular Formula: C9H10F3NO2S2
• Molecular Weight: 285.30
• Flash Point: 120 °C
• Refractive Index: 1.50

• XLogP3-AA: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 285.01050540 g/mol
• Monoisotopic Mass: 285.01050540 g/mol
• Topological Polar Surface Area: 71.1Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 342

• HS Number: 2935.90.9500