Cas no 57946-59-5 (Benzenamine, 4-[(2,2,2-trifluoroethyl)thio]-)

Benzenamine, 4-[(2,2,2-trifluoroethyl)thio]- structure
57946-59-5 structure
Product Name:Benzenamine, 4-[(2,2,2-trifluoroethyl)thio]-
CAS No:57946-59-5
MF:C8H8F3NS
MW:207.216031074524
CID:4047177
PubChem ID:10998214
Update Time:2025-04-22

Benzenamine, 4-[(2,2,2-trifluoroethyl)thio]- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 4-[(2,2,2-trifluoroethyl)thio]-
    • 4-[(2,2,2-Trifluoroethyl)sulfanyl]aniline
    • 57946-59-5
    • OQEQFNOQDBQLGX-UHFFFAOYSA-N
    • SCHEMBL8034515
    • G55681
    • EN300-5028589
    • Inchi: 1S/C8H8F3NS/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2
    • InChI Key: OQEQFNOQDBQLGX-UHFFFAOYSA-N
    • SMILES: NC1=CC=C(SCC(F)(F)F)C=C1

Computed Properties

  • Exact Mass: 207.03295492Da
  • Monoisotopic Mass: 207.03295492Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 152
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 51.3?2

Benzenamine, 4-[(2,2,2-trifluoroethyl)thio]- Pricemore >>

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