Cas no 353487-39-5 (1-Propanone,1-(5-bromobenzo[b]thien-3-yl)-)

1-Propanone,1-(5-bromobenzo[b]thien-3-yl)- structure
353487-39-5 structure
Product Name:1-Propanone,1-(5-bromobenzo[b]thien-3-yl)-
CAS No:353487-39-5
MF:C11H9BrOS
MW:269.157561063766
CID:303052
PubChem ID:5010178
Update Time:2025-04-19

1-Propanone,1-(5-bromobenzo[b]thien-3-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanone,1-(5-bromobenzo[b]thien-3-yl)-
    • 1-(5-bromo-1-benzothiophen-3-yl)propan-1-one
    • 1-(5-Bromo-benzo[b]thiophen-3-yl)-propan-1-one
    • 3-Propanoyl-5-bromo-benzo[b]thiophene
    • 1-(5-bromo-1-benzothien-3-yl)-1-propanone
    • 353487-39-5
    • DTXSID60407490
    • AN-278/13643034
    • Inchi: 1S/C11H9BrOS/c1-2-10(13)9-6-14-11-4-3-7(12)5-8(9)11/h3-6H,2H2,1H3
    • InChI Key: ZJRDAGPTEMFYBI-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C=1)C(=CS2)C(CC)=O

Computed Properties

  • Exact Mass: 267.95600
  • Monoisotopic Mass: 267.955748
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 231
  • 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: 3.9
  • Topological Polar Surface Area: 45.3

Experimental Properties

  • PSA: 45.31000
  • LogP: 4.25650
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