Cas no 140425-76-9 (Benzonitrile, 2-[[2-(methylamino)phenyl]thio]-)

Benzonitrile, 2-[[2-(methylamino)phenyl]thio]- structure
140425-76-9 structure
Product Name:Benzonitrile, 2-[[2-(methylamino)phenyl]thio]-
CAS No:140425-76-9
MF:C14H12N2S
MW:240.323481559753
CID:1290836
Update Time:2024-08-03

Benzonitrile, 2-[[2-(methylamino)phenyl]thio]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 2-[[2-(methylamino)phenyl]thio]-
    • Inchi: 1S/C14H12N2S/c1-16-12-7-3-5-9-14(12)17-13-8-4-2-6-11(13)10-15/h2-9,16H,1H3
    • InChI Key: OJKFTRWULQQZNS-UHFFFAOYSA-N
    • SMILES: C(#N)C1=CC=CC=C1SC1=CC=CC=C1NC

Computed Properties

  • Exact Mass: 240.07226

Experimental Properties

  • Density: 1.21±0.1 g/cm3(Predicted)
  • Boiling Point: 376.9±27.0 °C(Predicted)
  • PSA: 35.82
  • pka: 3.78±0.10(Predicted)
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