Cas no 150036-29-6 (Benzeneacetamide,N-methyl-N-[(2E)-3-(methylthio)-1-oxo-2-propen-1-yl]-)

Benzeneacetamide,N-methyl-N-[(2E)-3-(methylthio)-1-oxo-2-propen-1-yl]- structure
150036-29-6 structure
Product Name:Benzeneacetamide,N-methyl-N-[(2E)-3-(methylthio)-1-oxo-2-propen-1-yl]-
CAS No:150036-29-6
MF:C13H15NO2S
MW:249.32870221138
CID:147860
Update Time:2024-03-01

Benzeneacetamide,N-methyl-N-[(2E)-3-(methylthio)-1-oxo-2-propen-1-yl]- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetamide,N-methyl-N-[(2E)-3-(methylthio)-1-oxo-2-propen-1-yl]-
    • Benzeneacetamide,N-methyl-N-[(2E)-3-(methylthio)-1-oxo-2-propenyl]- (9CI)
    • Benzeneacetamide,N-methyl-N-[3-(methylthio)-1-oxo-2-propenyl]-, (E)-
    • Penimide A
    • Benzeneacetamide, N-methyl-N-[(2E)-3-(methylthio)-1-oxo-2-propen-1-yl]-
    • Inchi: 1S/C13H15NO2S/c1-14(12(15)8-9-17-2)13(16)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8+
    • InChI Key: OWYIACNBEZFCBT-CMDGGOBGSA-N
    • SMILES: C1(CC(N(C)C(=O)/C=C/SC)=O)=CC=CC=C1

Computed Properties

  • Exact Mass: 249.08245

Experimental Properties

  • Density: 1.165±0.06 g/cm3(Predicted)
  • Boiling Point: 410.9±45.0 °C(Predicted)
  • PSA: 37.38
  • pka: -2.05±0.70(Predicted)
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