N-(Phenylsulfonyl)-N-((trifluoromethyl)thio)benzenesulfonamide

• Catalog: OFC1902154931-2
• CAS: 1902154-93-1
• Category: Trifluoromethylthiolation Agents
• Synonyms: 3-(Trifluoromethyl)-1H-Pyrazol-5-Amine
• Purity: 97%
• MDL Number: MFCD31568557

• IUPAC Name: 5-(trifluoromethyl)-1H-pyrazol-3-amine
• InChI: InChI=1S/C4H4F3N3/c5-4(6,7)2-1-3(8)10-9-2/h1H,(H3,8,9,10)
• InChI Key: WVORIWCOSAWJJE-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(NN=C1N)C(F)(F)F
• EC Number: 692-663-3

• Molecular Formula: C13H10F3NO4S3
• Molecular Weight: 397.41
• Storage: Keep in dark place, inert atmosphere, 2-8 °C

• XLogP3-AA: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 151.03573163 g/mol
• Monoisotopic Mass: 151.03573163 g/mol
• Topological Polar Surface Area: 54.7Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 123