Cas no 54001-35-3 (Ethanone, 2-bromo-1-[2-(4-methoxyphenyl)-4-methyl-5-thiazolyl]-)

Ethanone, 2-bromo-1-[2-(4-methoxyphenyl)-4-methyl-5-thiazolyl]- structure
54001-35-3 structure
Product Name:Ethanone, 2-bromo-1-[2-(4-methoxyphenyl)-4-methyl-5-thiazolyl]-
CAS No:54001-35-3
MF:C13H12BrNO2S
MW:326.208881378174
CID:1587202
Update Time:2024-09-12

Ethanone, 2-bromo-1-[2-(4-methoxyphenyl)-4-methyl-5-thiazolyl]- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 2-bromo-1-[2-(4-methoxyphenyl)-4-methyl-5-thiazolyl]-
    • Inchi: 1S/C13H12BrNO2S/c1-8-12(11(16)7-14)18-13(15-8)9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3
    • InChI Key: GQHCUHZCLRQOKI-UHFFFAOYSA-N
    • SMILES: C(=O)(C1SC(C2=CC=C(OC)C=C2)=NC=1C)CBr

Computed Properties

  • Exact Mass: 324.97726

Experimental Properties

  • Density: 1.466±0.06 g/cm3(Predicted)
  • Melting Point: 90-91 °C(Solv: ethanol (64-17-5))
  • Boiling Point: 441.6±55.0 °C(Predicted)
  • PSA: 39.19
  • pka: 1.32±0.10(Predicted)
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