Cas no 487021-62-5 (Benzo[b]thiophene, 3-bromo-6-methoxy-)

Benzo[b]thiophene, 3-bromo-6-methoxy- structure
487021-62-5 structure
Product Name:Benzo[b]thiophene, 3-bromo-6-methoxy-
CAS No:487021-62-5
MF:C9H7BrOS
MW:243.120280504227
CID:4002610
PubChem ID:17892711
Update Time:2025-04-22

Benzo[b]thiophene, 3-bromo-6-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]thiophene, 3-bromo-6-methoxy-
    • 3-Bromo-6-methoxybenzo[b]thiophene
    • DTXSID901297645
    • NKMPIVMECGKBMI-UHFFFAOYSA-N
    • SCHEMBL5544081
    • 3-Bromo-6-methoxybenzothiophene
    • 487021-62-5
    • Inchi: 1S/C9H7BrOS/c1-11-6-2-3-7-8(10)5-12-9(7)4-6/h2-5H,1H3
    • InChI Key: NKMPIVMECGKBMI-UHFFFAOYSA-N
    • SMILES: C12=CC(OC)=CC=C1C(Br)=CS2

Computed Properties

  • Exact Mass: 241.94010Da
  • Monoisotopic Mass: 241.94010Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 165
  • 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: 37.5?2
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