Cas no 79324-78-0 (Ethanone, 1-[3-bromo-4-(methylthio)phenyl]-)

Ethanone, 1-[3-bromo-4-(methylthio)phenyl]-, is a brominated aromatic ketone derivative featuring a methylthio substituent at the para position relative to the carbonyl group. This compound is of interest in synthetic organic chemistry due to its functional groups, which make it a versatile intermediate for further derivatization. The presence of both bromine and methylthio moieties offers opportunities for selective cross-coupling reactions, nucleophilic substitutions, or oxidation transformations. Its well-defined structure ensures consistent reactivity, making it suitable for applications in pharmaceuticals, agrochemicals, or materials science research. The compound's stability under standard conditions facilitates handling and storage in laboratory settings.
Ethanone, 1-[3-bromo-4-(methylthio)phenyl]- structure
79324-78-0 structure
Product Name:Ethanone, 1-[3-bromo-4-(methylthio)phenyl]-
CAS No:79324-78-0
MF:C9H9BrOS
MW:245.136160612106
CID:1796672
PubChem ID:59631103
Update Time:2025-06-06

Ethanone, 1-[3-bromo-4-(methylthio)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-[3-bromo-4-(methylthio)phenyl]-
    • 1-(3-bromo-4-(methylthio)phenyl)ethanone
    • SCHEMBL2712115
    • 1-[3-Bromo-4-(methylthio)phenyl]ethanone
    • 1-(3-bromo-4-methylsulfanylphenyl)ethanone
    • DTXSID401273696
    • CBTKWQDQVWVZQK-UHFFFAOYSA-N
    • 1-[3-bromo-4-(methylsulfanyl)phenyl]ethan-1-one
    • MFCD17247671
    • EN300-749103
    • DB-336689
    • AKOS012208628
    • 79324-78-0
    • Inchi: 1S/C9H9BrOS/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
    • InChI Key: CBTKWQDQVWVZQK-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(C)=O)C=CC=1SC

Computed Properties

  • Exact Mass: 243.95575g/mol
  • Monoisotopic Mass: 243.95575g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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: 2.8
  • Topological Polar Surface Area: 42.4?2

Ethanone, 1-[3-bromo-4-(methylthio)phenyl]- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
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Enamine
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Enamine
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Enamine
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Enamine
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