Cas no 89479-35-6 (Naphtho[2,3-c]thiophene-4,9-dione, 5-chloro-)

Naphtho[2,3-c]thiophene-4,9-dione, 5-chloro- structure
89479-35-6 structure
Product Name:Naphtho[2,3-c]thiophene-4,9-dione, 5-chloro-
CAS No:89479-35-6
MF:C12H5ClO2S
MW:248.684900999069
CID:599055
PubChem ID:13237904
Update Time:2025-04-19

Naphtho[2,3-c]thiophene-4,9-dione, 5-chloro- Chemical and Physical Properties

Names and Identifiers

    • Naphtho[2,3-c]thiophene-4,9-dione, 5-chloro-
    • 5-chlorobenzo[f][2]benzothiole-4,9-dione
    • 89479-35-6
    • 5-Chloronaphtho[2,3-c]thiophene-4,9-dione
    • DTXSID30531019
    • Inchi: 1S/C12H5ClO2S/c13-9-3-1-2-6-10(9)12(15)8-5-16-4-7(8)11(6)14/h1-5H
    • InChI Key: INCGBJLDKUJQIL-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2C(C3=CSC=C3C(C=21)=O)=O

Computed Properties

  • Exact Mass: 247.9698783g/mol
  • Monoisotopic Mass: 247.9698783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 0
  • Complexity: 344
  • 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: 3.2
  • Topological Polar Surface Area: 62.4?2
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