Cas no 18587-32-1 (12h-Benzo[b]phenothiazine 5,5-dioxide)

12h-Benzo[b]phenothiazine 5,5-dioxide structure
18587-32-1 structure
Product Name:12h-Benzo[b]phenothiazine 5,5-dioxide
CAS No:18587-32-1
MF:C16H11NO2S
MW:281.329042673111
CID:883872
Update Time:2023-08-03

12h-Benzo[b]phenothiazine 5,5-dioxide Chemical and Physical Properties

Names and Identifiers

    • 12H-Benzo[b]phenoxazin; 12H-Benzo< b> phenoxazin; Benzo< b> phenoxazin; benzo< b> phenoxazine; 12H-Benz< f> isoindolo< 2,1-a> benzimidazol; AC1Q70O7; MLS002703855; Oprea1_478121; SureCN302837; 12H-benzo[f]benzo[4,5]imidazo[2,1-a]isoindole; AC1L6H5Q; 12H-Benzo[f]benz[4,5]imidazo[2,1-a]isoindol; 12H-benzo[f]benz[4,5]imidazo[2,1-a]isoindole; 12H-Benzo< b> phenothiazin-5-dioxid; CTK1A3891; benzo[b]phenoxa
    • 12h-benzo[b]phenothiazine 5,5-dioxide
    • NSC116485
    • 12h-Benzo[b]phenothiazine 5,5-dioxide
    • Inchi: 1S/C16H11NO2S/c18-20(19)15-8-4-3-7-13(15)17-14-9-11-5-1-2-6-12(11)10-16(14)20/h1-10,17H
    • InChI Key: LZPODVMZBAPLAL-UHFFFAOYSA-N
    • SMILES: S1(C2C=CC=CC=2NC2C=C3C=CC=CC3=CC1=2)(=O)=O

Computed Properties

  • Exact Mass: 281.05100
  • Monoisotopic Mass: 281.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 469
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 54.6

Experimental Properties

  • Density: 1.387
  • Boiling Point: 542.9°C at 760 mmHg
  • Flash Point: 282.1°C
  • Refractive Index: 1.712
  • PSA: 54.55000
  • LogP: 4.94840
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