Cas no 269-02-3 (Cyclopenta[b][1]benzothiopyran(6CI,7CI,8CI,9CI))

Cyclopenta[b][1]benzothiopyran(6CI,7CI,8CI,9CI) structure
269-02-3 structure
Product Name:Cyclopenta[b][1]benzothiopyran(6CI,7CI,8CI,9CI)
CAS No:269-02-3
MF:C12H8S
MW:184.256921768188
CID:271774
PubChem ID:12300040
Update Time:2025-04-19

Cyclopenta[b][1]benzothiopyran(6CI,7CI,8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclopenta[b][1]benzothiopyran(6CI,7CI,8CI,9CI)
    • 2,3-Benzothialene
    • cyclopenta[b]thiochromene
    • DTXSID60486260
    • 269-02-3
    • Inchi: 1S/C12H8S/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h1-8H
    • InChI Key: SPOHWZXIHGXDQM-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2C=C2C=CC=C12

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: 4
  • Topological Polar Surface Area: 28.2?2

Experimental Properties

  • PSA: 0
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