Cas no 87473-96-9 (1,2-Benzenedithiol, 3-bromo-)

1,2-Benzenedithiol, 3-bromo- structure
1,2-Benzenedithiol, 3-bromo- structure
Product Name:1,2-Benzenedithiol, 3-bromo-
CAS No:87473-96-9
MF:C6H5BrS2
MW:221.137898206711
CID:655979
PubChem ID:22497917
Update Time:2025-04-19

1,2-Benzenedithiol, 3-bromo- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedithiol, 3-bromo-
    • 3-bromobenzene-1,2-dithiol
    • 87473-96-9
    • SCHEMBL1968056
    • DTXSID10626235
    • Inchi: 1S/C6H5BrS2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
    • InChI Key: UCWPQWFMUHVRKX-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1S)S

Computed Properties

  • Exact Mass: 219.90161g/mol
  • Monoisotopic Mass: 219.90161g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 97.1
  • 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: 2?2
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