Cas no 220301-87-1 (5-(Trifluoromethyl)benzothiazole-2-carbonitrile)

5-(Trifluoromethyl)benzothiazole-2-carbonitrile structure
220301-87-1 structure
Product Name:5-(Trifluoromethyl)benzothiazole-2-carbonitrile
CAS No:220301-87-1
MF:C9H3F3N2S
MW:228.193730592728
CID:849955
Update Time:2023-08-03

5-(Trifluoromethyl)benzothiazole-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Benzothiazolecarbonitrile, 5-(trifluoromethyl)-
    • 5-(trifluoromethyl)benzo[d]thiazole-2-carbonitrile
    • 5-(trifluoromethyl)benzothiazole-2-carbonitrile
    • 5-(Trifluoromethyl)benzothiazole-2-carbonitrile
    • Inchi: 1S/C9H3F3N2S/c10-9(11,12)5-1-2-7-6(3-5)14-8(4-13)15-7/h1-3H
    • InChI Key: BVMFYBPWYIOKQO-UHFFFAOYSA-N
    • SMILES: S1C(C#N)=NC2C=C(C(F)(F)F)C=CC1=2

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 296
  • Topological Polar Surface Area: 64.9
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