Cas no 235101-36-7 (Riluzole 4-Trifluoromethoxy Isomer)

Riluzole 4-Trifluoromethoxy Isomer structure
235101-36-7 structure
Product Name:Riluzole 4-Trifluoromethoxy Isomer
CAS No:235101-36-7
MF:C8H5F3N2OS
MW:234.198310613632
CID:67137
PubChem ID:10633417
Update Time:2025-04-18

Riluzole 4-Trifluoromethoxy Isomer Chemical and Physical Properties

Names and Identifiers

    • 4-(Trifluoromethoxy)benzo[d]thiazol-2-amine
    • 4-(Trifluoromethoxy)-1,3-benzothiazol-2-amine
    • Riluzole 4-Trifluoromethoxy Isomer
    • 2-amino-4-triflouromethoxybenzothiazol
    • 2-AMINO-4-TRIFLUOROMETHOXYBENZOTHIAZOLE
    • 4-(trifluoromethoxy)-2-benzothiazolamine
    • AK124388
    • CHEMBL442192
    • KB-167173
    • Z3074330992
    • EN300-172900
    • 2-amino-4-trifluoromethoxybenzothiazol
    • CS-0080654
    • 4-(trifluoromethoxy)-1, 3-benzothiazol-2-amine
    • 2-Benzothiazolamine, 4-(trifluoromethoxy)-
    • D74237
    • 2-amino-4-(trifluoromethoxy)benzothiazole
    • SCHEMBL1420069
    • 4-Trifluoromethoxy-benzothiazol-2-yl-amine
    • BS-43828
    • DTXSID80442803
    • AKOS009251893
    • 235101-36-7
    • A912881
    • STL570224
    • 2-Benzothiazolamine, 4-(trifluoromethoxy)-; 4-(Trifluoromethoxy)-2-benzothiazolamine; 2-Amino-4-trifluoromethoxybenzothiazole; 4-(Trifluoromethoxy)benzo[d]thiazol-2-amine; 4-(Trifluoromethoxy)-1,3-benzothiazol-2-amine
    • DB-331808
    • MDL: MFCD11189728
    • Inchi: 1S/C8H5F3N2OS/c9-8(10,11)14-4-2-1-3-5-6(4)13-7(12)15-5/h1-3H,(H2,12,13)
    • InChI Key: YSURRMGJTOKALN-UHFFFAOYSA-N
    • SMILES: S1C(N)=NC2C(=CC=CC1=2)OC(F)(F)F

Computed Properties

  • Exact Mass: 234.00755
  • Monoisotopic Mass: 234.00746845g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 238
  • 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: 3.2
  • Topological Polar Surface Area: 76.4?2

Experimental Properties

  • Density: 1.572
  • Melting Point: 72 oC
  • Boiling Point: 296.3±50.0 °C at 760 mmHg
  • Flash Point: 133.0±30.1 °C
  • PSA: 48.14
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

Riluzole 4-Trifluoromethoxy Isomer Security Information

Riluzole 4-Trifluoromethoxy Isomer Pricemore >>

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