Cas no 258-78-6 (13H-Dibenzo[b,i]phenothiazine)

13H-Dibenzo[b,i]phenothiazine structure
13H-Dibenzo[b,i]phenothiazine structure
Product Name:13H-Dibenzo[b,i]phenothiazine
CAS No:258-78-6
MF:C20H13NS
MW:299.388923406601
CID:280676
PubChem ID:250363
Update Time:2025-04-19

13H-Dibenzo[b,i]phenothiazine Chemical and Physical Properties

Names and Identifiers

    • 13H-Dibenzo[b,i]phenothiazine
    • 258-78-6
    • SCHEMBL22763316
    • NSC69712
    • 13H-Dibenzo[b,f]phenothiazine
    • NSC-69712
    • DTXSID40948699
    • Inchi: 1S/C20H13NS/c1-3-7-15-11-19-17(9-13(15)5-1)21-18-10-14-6-2-4-8-16(14)12-20(18)22-19/h1-12,21H
    • InChI Key: YWQCUOPMWQPZTR-UHFFFAOYSA-N
    • SMILES: S1C2C=C3C=CC=CC3=CC=2NC2C=C3C=CC=CC3=CC1=2

Computed Properties

  • Exact Mass: 299.07699
  • Monoisotopic Mass: 299.077
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 0
  • Complexity: 375
  • 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: 6.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.302
  • Boiling Point: 553.5°Cat760mmHg
  • Flash Point: 288.5°C
  • Refractive Index: 1.779
  • PSA: 12.03
  • LogP: 6.33920

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