Cas no 656227-39-3 (1H-Pyrazole, 3-(3-methyl-2-thienyl)-5-(trifluoromethyl)-)

1H-Pyrazole, 3-(3-methyl-2-thienyl)-5-(trifluoromethyl)- structure
656227-39-3 structure
Product Name:1H-Pyrazole, 3-(3-methyl-2-thienyl)-5-(trifluoromethyl)-
CAS No:656227-39-3
MF:C9H7F3N2S
MW:232.225490808487
CID:1689791
Update Time:2024-08-30

1H-Pyrazole, 3-(3-methyl-2-thienyl)-5-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole, 3-(3-methyl-2-thienyl)-5-(trifluoromethyl)-
    • Inchi: 1S/C9H7F3N2S/c1-5-2-3-15-8(5)6-4-7(14-13-6)9(10,11)12/h2-4H,1H3,(H,13,14)
    • InChI Key: VRHGQSNNFYMCSU-UHFFFAOYSA-N
    • SMILES: N1C(C(F)(F)F)=CC(C2SC=CC=2C)=N1

Computed Properties

  • Exact Mass: 232.02831

Experimental Properties

  • Density: 1.402±0.06 g/cm3(Predicted)
  • Boiling Point: 322.1±42.0 °C(Predicted)
  • PSA: 28.68
  • pka: 9.63±0.10(Predicted)

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