Cas no 258-08-2 (12H-Benzo[b]phenothiazine)

12H-Benzo[b]phenothiazine structure
12H-Benzo[b]phenothiazine structure
Product Name:12H-Benzo[b]phenothiazine
CAS No:258-08-2
MF:C16H11NS
MW:249.330242395401
CID:291048
PubChem ID:255516
Update Time:2025-04-19

12H-Benzo[b]phenothiazine Chemical and Physical Properties

Names and Identifiers

    • 12H-Benzo[b]phenothiazine
    • [8,9]benzophenoxazine
    • 12H-Benzo[a]phenoxazin
    • 12H-Benzo[b]phenothiazin
    • 12H-Benzo< b> phenothiazin
    • AGN-PC-00MGPR
    • benzazaxanthene
    • benzo[a]phenoxazine
    • benzo< a> phenoxazine
    • benzo< b> phenothiazine
    • Benzo< c> phenothiazin
    • benzophenoxazine
    • Benzo-ss-thiodiphenylamin
    • CTK0J6295
    • SureCN121074
    • SMR000444068
    • MLS000737083
    • NSC-81120
    • DTXSID80948698
    • SCHEMBL8602753
    • NSC81120
    • cid_255516
    • HMS2806C19
    • SR-01000780654
    • 12H-5-THIA-12-AZATETRACENE
    • IWKDFAWZFVGWAH-UHFFFAOYSA-N
    • 12H-Benzo(b)phenothiazine
    • CHEMBL1450360
    • BDBM65958
    • 258-08-2
    • SR-01000780654-3
    • Benzo[b]phenothiazine
    • G87087
    • Inchi: 1S/C16H11NS/c1-2-6-12-10-16-14(9-11(12)5-1)17-13-7-3-4-8-15(13)18-16/h1-10,17H
    • InChI Key: IWKDFAWZFVGWAH-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2NC2C=C3C=CC=CC3=CC1=2

Computed Properties

  • Exact Mass: 249.06133
  • Monoisotopic Mass: 249.061
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 306
  • 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
  • XLogP3: 5.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.274
  • Boiling Point: 467.7°Cat760mmHg
  • Flash Point: 236.7°C
  • Refractive Index: 1.735
  • PSA: 12.03
  • LogP: 5.18600

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