Cas no 6109-15-5 (10-butylphenothiazine 5,5-dioxide)

10-butylphenothiazine 5,5-dioxide structure
6109-15-5 structure
Product Name:10-butylphenothiazine 5,5-dioxide
CAS No:6109-15-5
MF:C16H17NO2S
MW:287.37668299675
CID:1625149
Update Time:2024-09-12

10-butylphenothiazine 5,5-dioxide Chemical and Physical Properties

Names and Identifiers

    • 10-butylphenothiazine 5,5-dioxide
    • 10-butyl-10H-phenothiazine 5,5-dioxide
    • 10H-phenothiazine, 10-butyl-, 5,5-dioxide
    • LogP
    • Inchi: 1S/C16H17NO2S/c1-2-3-12-17-13-8-4-6-10-15(13)20(18,19)16-11-7-5-9-14(16)17/h4-11H,2-3,12H2,1H3
    • InChI Key: LHIRPDQALIYIDK-UHFFFAOYSA-N
    • SMILES: C1=C2C(S(=O)(=O)C3=C(N2CCCC)C=CC=C3)=CC=C1

Computed Properties

  • Exact Mass: 287.09811

Experimental Properties

  • Density: 1.226±0.06 g/cm3(Predicted)
  • Melting Point: 149-150 °C
  • Boiling Point: 462.5±15.0 °C(Predicted)
  • PSA: 37.38
  • pka: -3.06±0.20(Predicted)
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