Cas no 239100-02-8 (Benzo[1,2-b:5,4-b']dithiophene-2-carboxaldehyde,4,8-dihydro-4,8-dioxo- (9CI))

Benzo[1,2-b:5,4-b']dithiophene-2-carboxaldehyde,4,8-dihydro-4,8-dioxo- (9CI) structure
239100-02-8 structure
Product Name:Benzo[1,2-b:5,4-b']dithiophene-2-carboxaldehyde,4,8-dihydro-4,8-dioxo- (9CI)
CAS No:239100-02-8
MF:C11H4O3S2
MW:248.277660369873
CID:286588
PubChem ID:375902
Update Time:2025-04-19

Benzo[1,2-b:5,4-b']dithiophene-2-carboxaldehyde,4,8-dihydro-4,8-dioxo- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzo[1,2-b:5,4-b']dithiophene-2-carboxaldehyde,4,8-dihydro-4,8-dioxo- (9CI)
    • NSC 656239
    • 4,8-dioxothieno[3,2-f][1]benzothiole-2-carbaldehyde
    • NCIChal_000018
    • NCI60_019455
    • 239100-02-8
    • Neuro_000378
    • NSC-656239
    • Benzo[1,4-b']dithiophene-2-carboxaldehyde, 4,8-dioxo-
    • CCG-36215
    • DTXSID10327432
    • NSC656239
    • CHEMBL2003125
    • Inchi： 1S/C11H4O3S2/c12-4-5-3-7-8(13)6-1-2-15-10(6)9(14)11(7)16-5/h1-4H
    • InChI Key： BNSGSFPTSNIIMM-UHFFFAOYSA-N
    • SMILES： S1C(C=O)=CC2C(C3C=CSC=3C(C1=2)=O)=O

Computed Properties

  • Exact Mass: 272.08309
  • Monoisotopic Mass: 247.96018633g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 368
  • 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: 2.7
  • Topological Polar Surface Area: 108?2

Experimental Properties

  • PSA: 52.54

Benzo[1,2-b:5,4-b']dithiophene-2-carboxaldehyde,4,8-dihydro-4,8-dioxo- (9CI) Related Literature

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239100-02-8 (Benzo[1,2-b:5,4-b']dithiophene-2-carboxaldehyde,4,8-dihydro-4,8-dioxo- (9CI)) Related Products

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