Cas no 496881-03-9 (2-Thiophenecarbonitrile, 5-[4-(5-bromo-2-thienyl)-1,4-dioxobutyl]-)

2-Thiophenecarbonitrile, 5-[4-(5-bromo-2-thienyl)-1,4-dioxobutyl]- structure
496881-03-9 structure
Product Name:2-Thiophenecarbonitrile, 5-[4-(5-bromo-2-thienyl)-1,4-dioxobutyl]-
CAS No:496881-03-9
MF:C13H8BrNO2S2
MW:354.242119789124
CID:1536490
Update Time:2024-08-24

2-Thiophenecarbonitrile, 5-[4-(5-bromo-2-thienyl)-1,4-dioxobutyl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarbonitrile, 5-[4-(5-bromo-2-thienyl)-1,4-dioxobutyl]-
    • 5-[4-(5-Bromo-thiophen-2-yl)-4-oxo-butyryl]-thiophene-2-carbonitrile
    • Inchi: 1S/C13H8BrNO2S2/c14-13-6-5-12(19-13)10(17)3-2-9(16)11-4-1-8(7-15)18-11/h1,4-6H,2-3H2
    • InChI Key: LJEUSIOUMZQVOJ-UHFFFAOYSA-N
    • SMILES: C1(C#N)SC(C(=O)CCC(C2SC(Br)=CC=2)=O)=CC=1

Computed Properties

  • Exact Mass: 352.91804

Experimental Properties

  • Density: 1.66±0.1 g/cm3(Predicted)
  • Boiling Point: 545.0±50.0 °C(Predicted)
  • PSA: 57.93

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