Cas no 248-13-5 (Azuleno[2,1-b]thiophene)

Azuleno[2,1-b]thiophene structure
Azuleno[2,1-b]thiophene structure
Product Name:Azuleno[2,1-b]thiophene
CAS No:248-13-5
MF:C12H8S
MW:184.256921768188
CID:1419016
PubChem ID:603531
Update Time:2025-04-20

Azuleno[2,1-b]thiophene Chemical and Physical Properties

Names and Identifiers

    • Azuleno[2,1-b]thiophene
    • SCHEMBL9749622
    • AKOS006370483
    • Azuleno(2,1-b)thiophene
    • 248-13-5
    • DTXSID70345298
    • Thieno[3,2-a]-azulene
    • Inchi: 1S/C12H8S/c1-2-4-9-8-12-11(6-7-13-12)10(9)5-3-1/h1-8H
    • InChI Key: JNNXZFACGNFOPF-UHFFFAOYSA-N
    • SMILES: S1C=CC2=C1C=C1C=CC=CC=C21

Computed Properties

  • Exact Mass: 184.03474
  • Monoisotopic Mass: 184.03467143g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 190
  • 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: 3.6
  • Topological Polar Surface Area: 28.2?2

Experimental Properties

  • PSA: 0
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