Cas no 62574-42-9 (Benzo[h]quinazoline-4(1H)-thione)

Benzo[h]quinazoline-4(1H)-thione structure
62574-42-9 structure
Product Name:Benzo[h]quinazoline-4(1H)-thione
CAS No:62574-42-9
MF:C12H8N2S
MW:212.270320892334
CID:439709
Update Time:2024-01-29

Benzo[h]quinazoline-4(1H)-thione Chemical and Physical Properties

Names and Identifiers

    • Benzo[h]quinazoline-4(1H)-thione
    • Benzo[h]quinazoline-4(3H)-thione
    • Inchi: 1S/C12H8N2S/c15-12-10-6-5-8-3-1-2-4-9(8)11(10)13-7-14-12/h1-7H,(H,13,14,15)
    • InChI Key: VRDYLSVSQGNSQV-UHFFFAOYSA-N
    • SMILES: N1C2=C(C=CC3=CC=CC=C32)C(=S)NC=1

Computed Properties

  • Exact Mass: 212.04094

Experimental Properties

  • Density: 1.34±0.1 g/cm3(Predicted)
  • Melting Point: 274-280 °C (decomp)
  • Boiling Point: 414.9±28.0 °C(Predicted)
  • PSA: 24.39
  • pka: -0.13±0.20(Predicted)
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