Cas no 33527-22-9 (Thieno[3,4-f][1]benzothiole-4,8-dione)

Thieno[3,4-f][1]benzothiole-4,8-dione structure
33527-22-9 structure
Product Name:Thieno[3,4-f][1]benzothiole-4,8-dione
CAS No:33527-22-9
MF:C10H4O2S2
MW:220.267560005188
CID:918064
PubChem ID:288501
Update Time:2025-04-19

Thieno[3,4-f][1]benzothiole-4,8-dione Chemical and Physical Properties

Names and Identifiers

    • Thieno[3,4-f][1]benzothiole-4,8-dione
    • 4,8-Dihydrobenzo[1,2-b:4,5-c']dithiophen-4,8-dion
    • 4,8-Dihydrobenzo< 1,2-b:4,5-c'> dithiophen-4,8-dion
    • AC1L69P4
    • AC1Q6KLK
    • AR-1H8951
    • benzo[1,2-b:4,5-c']bisthiophene-4,8-dione
    • CTK4H0756
    • NSC149713
    • Thiopheno(3,4-f)benzo(b)thiophene-4,8-dione
    • Thiopheno[3,4-f]benzo[b]thiophene-4,8-dione
    • benzo[1,2-b:4,5-c']-dithiophene-4,8-dione
    • NSC-149713
    • THIENO(3',4':4,5)BENZO(1,2-B)THIOPHENE-4,8-DIONE
    • 44MDA1T45K
    • SCHEMBL10051615
    • 33527-22-9
    • NSC 149713
    • BENZO(1,2-B:4,5-C')DITHIOPHENE-4,8-DIONE
    • UNII-44MDA1T45K
    • DTXSID30187171
    • thieno[3,4-f]benzothiophene-4,8-dione
    • Inchi: 1S/C10H4O2S2/c11-8-5-1-2-14-10(5)9(12)7-4-13-3-6(7)8/h1-4H
    • InChI Key: BZBRPSXQMGGREP-UHFFFAOYSA-N
    • SMILES: S1C=CC2C(C3=CSC=C3C(C1=2)=O)=O

Computed Properties

  • Exact Mass: 219.96532
  • Monoisotopic Mass: 219.96527171g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 303
  • 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: 2.6
  • Topological Polar Surface Area: 90.6?2

Experimental Properties

  • Density: 1.595
  • Boiling Point: 408°C at 760 mmHg
  • Flash Point: 200.6°C
  • Refractive Index: 1.736
  • PSA: 34.14
  • LogP: 2.58500

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