Cas no 19076-19-8 (7-bromo-5-methyl-1-benzothiophene)

7-bromo-5-methyl-1-benzothiophene structure
19076-19-8 structure
Product Name:7-bromo-5-methyl-1-benzothiophene
CAS No:19076-19-8
MF:C9H7BrS
MW:227.120880365372
CID:1384534
PubChem ID:56973332
Update Time:2025-04-20

7-bromo-5-methyl-1-benzothiophene Chemical and Physical Properties

Names and Identifiers

    • 7-bromo-5-methyl-1-benzothiophene
    • 7-bromo-5-methylbenzo[b]thiophene
    • ACN-S001350
    • 7-Bromo-5-methyl-benzo[b]thiophene
    • KB-46191
    • KB-46192
    • 19076-19-8
    • SCHEMBL12135667
    • DTXSID60719904
    • Inchi: 1S/C9H7BrS/c1-6-4-7-2-3-11-9(7)8(10)5-6/h2-5H,1H3
    • InChI Key: CAQJWQNFZVDDQZ-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C)=CC2C=CSC=21

Computed Properties

  • Exact Mass: 225.94518g/mol
  • Monoisotopic Mass: 225.94518g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 149
  • 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
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