Cas no 33527-21-8 (benzo[1,2-b:5,4-b'']bisthiophene-4,8-dione)

benzo[1,2-b:5,4-b'']bisthiophene-4,8-dione structure
33527-21-8 structure
Product Name:benzo[1,2-b:5,4-b'']bisthiophene-4,8-dione
CAS No:33527-21-8
MF:C10H4O2S2
MW:220.267560005188
CID:918063
PubChem ID:288496
Update Time:2025-04-19

benzo[1,2-b:5,4-b'']bisthiophene-4,8-dione Chemical and Physical Properties

Names and Identifiers

    • benzo[1,2-b:5,4-b'']bisthiophene-4,8-dione
    • thieno[3,2-f][1]benzothiole-4,8-dione
    • 1,7-Dithia-s-indacene-4,8-dione
    • 4,8-Dihydrobenzo[1,2-b:5,4-b']dithiophen-4,8-dion
    • 4,8-dihydrobenzo[1,2-b:5,4-b']dithiophene-4,8-dione
    • 4,8-Dihydrobenzo< 1,2-b:5,4-b'> dithiophen-4,8-dion
    • 4,8-dihydrobenzol[1,2-b:5,4-b']dithiophene-4,8-dione
    • AC1L69OP
    • AC1Q6NFK
    • AR-1B8390
    • benzo< 1,2-b,5,4-b'> dithiphen-4,8-dione
    • CHEMBL357519
    • CTK1C5843
    • KST-1B3284
    • NSC149708
    • SureCN6995084
    • N5R0FXO8NE
    • UNII-N5R0FXO8NE
    • 33527-21-8
    • NSC 149708
    • NSC-149708
    • SCHEMBL6995084
    • thieno[3,2-f]benzothiophene-4,8-dione
    • BENZO(1,2-B:5,4-B')DITHIOPHENE-4,8-DIONE
    • DTXSID70187170
    • DB-102988
    • Inchi： 1S/C10H4O2S2/c11-7-5-1-3-13-9(5)8(12)10-6(7)2-4-14-10/h1-4H
    • InChI Key： NIJSWSKJHMSEGG-UHFFFAOYSA-N
    • SMILES： S1C=CC2C(C3C=CSC=3C(C1=2)=O)=O

Computed Properties

  • Exact Mass: 219.96532
  • Monoisotopic Mass: 219.965
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 277
  • 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: 2.9
  • 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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