Cas no 4968-81-4 (naphtho[2,3-b]thiophene-4,9-dione)

naphtho[2,3-b]thiophene-4,9-dione structure
4968-81-4 structure
Product Name:naphtho[2,3-b]thiophene-4,9-dione
CAS No:4968-81-4
MF:C12H6O2S
MW:214.239841938019
CID:932656
PubChem ID:98578
Update Time:2025-04-19

naphtho[2,3-b]thiophene-4,9-dione Chemical and Physical Properties

Names and Identifiers

    • naphtho[2,3-b]thiophene-4,9-dione
    • benzo[f][1]benzothiole-4,9-dione
    • THIOPHENONAPHTHOQUINONE
    • DTXSID40197968
    • Bio4D6
    • NSC149689
    • THIOPHANTHRAQUINONE
    • NSC-149689
    • Naphtho(2,3-b)thiophene-4,9-dione
    • CHEMBL302418
    • HMS1665K03
    • benzo[f]benzothiophene-4,9-dione
    • K4NS1RG3HV
    • UNII-K4NS1RG3HV
    • SCHEMBL29285
    • benzo[f]benzothiophene-4,9-quinone
    • Oprea1_073741
    • CCG-54467
    • SR-01000643560-1
    • 4968-81-4
    • 4,9-Dioxo-4,9-dihydro-naphtho[2,3-b]thiophen
    • NSC 149689
    • Inchi: 1S/C12H6O2S/c13-10-7-3-1-2-4-8(7)11(14)12-9(10)5-6-15-12/h1-6H
    • InChI Key: GDUFLCCHLCZVCJ-UHFFFAOYSA-N
    • SMILES: S1C=CC2C(C3C=CC=CC=3C(C1=2)=O)=O

Computed Properties

  • Exact Mass: 214.00900
  • Monoisotopic Mass: 214.009
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 313
  • 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: 62.4?2

Experimental Properties

  • Density: 1.442
  • Boiling Point: 390.9°C at 760 mmHg
  • Flash Point: 190.2°C
  • Refractive Index: 1.694
  • PSA: 62.38000
  • LogP: 2.52350
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