Cas no 2204280-41-9 (Benzenemethanamine, 4-[(trifluoromethyl)thio]-N-[[4-[(trifluoromethyl)thio]phenyl]methyl]-)

Benzenemethanamine, 4-[(trifluoromethyl)thio]-N-[[4-[(trifluoromethyl)thio]phenyl]methyl]- structure
2204280-41-9 structure
Product Name:Benzenemethanamine, 4-[(trifluoromethyl)thio]-N-[[4-[(trifluoromethyl)thio]phenyl]methyl]-
CAS No:2204280-41-9
MF:C16H13F6NS2
MW:397.4
CID:4766844
PubChem ID:145978898
Update Time:2026-02-26

Benzenemethanamine, 4-[(trifluoromethyl)thio]-N-[[4-[(trifluoromethyl)thio]phenyl]methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine, 4-[(trifluoromethyl)thio]-N-[[4-[(trifluoromethyl)thio]phenyl]methyl]-
    • MY33-3
    • HY-123966
    • BDBM50464775
    • DA-65720
    • EX-A7080
    • AKOS040757404
    • CS-0087719
    • CHEMBL4278170
    • 2204280-41-9
    • Inchi: 1S/C16H13F6NS2/c17-15(18,19)24-13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)25-16(20,21)22/h1-8,23H,9-10H2
    • InChI Key: NRRCKCHDXWGUIH-UHFFFAOYSA-N
    • SMILES: C1(CNCC2=CC=C(SC(F)(F)F)C=C2)=CC=C(SC(F)(F)F)C=C1

Computed Properties

  • Exact Mass: 397.03936074g/mol
  • Monoisotopic Mass: 397.03936074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 349
  • 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: 6.2
  • Topological Polar Surface Area: 62.6?2

Benzenemethanamine, 4-[(trifluoromethyl)thio]-N-[[4-[(trifluoromethyl)thio]phenyl]methyl]- Pricemore >>

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