Cas no 80577-93-1 (3-Thiophenecarbonitrile,5-acetyl-)

3-Thiophenecarbonitrile,5-acetyl- is a heterocyclic organic compound featuring a thiophene ring substituted with a cyano group at the 3-position and an acetyl group at the 5-position. This structure makes it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The presence of both electron-withdrawing (cyano) and electron-donating (acetyl) groups enhances its reactivity, enabling diverse chemical transformations. Its high purity and stability ensure consistent performance in coupling reactions, cyclizations, and other fine chemical processes. The compound is widely utilized in research and industrial applications due to its versatility and well-characterized properties.
3-Thiophenecarbonitrile,5-acetyl- structure
80577-93-1 structure
Product Name:3-Thiophenecarbonitrile,5-acetyl-
CAS No:80577-93-1
MF:C7H5NOS
MW:151.185700178146
MDL:MFCD15142734
CID:707724
PubChem ID:12931818
Update Time:2025-06-09

3-Thiophenecarbonitrile,5-acetyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Thiophenecarbonitrile,5-acetyl-
    • 5-acetylthiophene-3-carbonitrile
    • MFCD15142734
    • SY272604
    • 80577-93-1
    • EN300-1845559
    • SCHEMBL18499651
    • A937732
    • DB-339540
    • 3-THIOPHENECARBONITRILE, 5-ACETYL-
    • MDL： MFCD15142734
    • Inchi： 1S/C7H5NOS/c1-5(9)7-2-6(3-8)4-10-7/h2,4H,1H3
    • InChI Key： XOOVGXRAIYZGMI-UHFFFAOYSA-N
    • SMILES： S1C=C(C#N)C=C1C(C)=O

Computed Properties

  • Exact Mass: 151.00918496g/mol
  • Monoisotopic Mass: 151.00918496g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 193
  • 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: 1.3
  • Topological Polar Surface Area: 69.1?2

3-Thiophenecarbonitrile,5-acetyl- Pricemore >>

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Enamine
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Enamine
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Enamine
EN300-1845559-0.5g
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 80577-93-1 95%
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Enamine
EN300-1845559-1g
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 80577-93-1 95%
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Enamine
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