Cas no 108223-66-1 (1-(5-ethylthiophen-2-yl)propan-1-one)

1-(5-ethylthiophen-2-yl)propan-1-one structure
108223-66-1 structure
Product Name:1-(5-ethylthiophen-2-yl)propan-1-one
CAS No:108223-66-1
MF:C9H12OS
MW:168.255981445313
CID:1185494
PubChem ID:13611633
Update Time:2025-04-20

1-(5-ethylthiophen-2-yl)propan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(5-ethylthiophen-2-yl)propan-1-one
    • 1-Propanone, 1-(5-ethyl-2-thienyl)-
    • 1-(5-Aethyl-[2]thienyl)-propan-1-on
    • 1-(5-ethyl-[2]thienyl)-propan-1-one
    • 1-(5-ethylthien-2-yl)-1-propanone
    • GEO-02759
    • 5-Ethyl-2-propiothienone
    • AGN-PC-00NAHX
    • MFCD00551000
    • AKOS000190321
    • SCHEMBL13078179
    • DTXSID20544996
    • 108223-66-1
    • Inchi: 1S/C9H12OS/c1-3-7-5-6-9(11-7)8(10)4-2/h5-6H,3-4H2,1-2H3
    • InChI Key: IEOBQCWBYSLFPX-UHFFFAOYSA-N
    • SMILES: S1C(C(CC)=O)=CC=C1CC

Computed Properties

  • Exact Mass: 168.06088618g/mol
  • Monoisotopic Mass: 168.06088618g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 145
  • 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: 2.9
  • Topological Polar Surface Area: 45.3?2
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