Cas no 5472-52-6 (1-[(4-ethylphenyl)sulfonyl]-2-methyl-1H-imidazole)

1-[(4-ethylphenyl)sulfonyl]-2-methyl-1H-imidazole structure
5472-52-6 structure
Product Name:1-[(4-ethylphenyl)sulfonyl]-2-methyl-1H-imidazole
CAS No:5472-52-6
MF:C12H14N2O2S
MW:250.316761493683
CID:1590480
PubChem ID:748168
Update Time:2025-04-21

1-[(4-ethylphenyl)sulfonyl]-2-methyl-1H-imidazole Chemical and Physical Properties

Names and Identifiers

    • 1-[(4-ethylphenyl)sulfonyl]-2-methyl-1H-imidazole
    • 1-(4-Ethyl-benzenesulfonyl)-2-methyl-1H-imidazole
    • 1H-imidazole, 1-[(4-ethylphenyl)sulfonyl]-2-methyl-
    • SR-01000401827-1
    • AKOS000595825
    • DTXSID90970041
    • 1-(4-Ethylbenzene-1-sulfonyl)-2-methyl-1H-imidazole
    • 1-[(4-ethylphenyl)sulfonyl]-2-methylimidazole
    • 1-(4-ethylphenyl)sulfonyl-2-methylimidazole
    • SR-01000401827
    • 5472-52-6
    • Inchi： 1S/C12H14N2O2S/c1-3-11-4-6-12(7-5-11)17(15,16)14-9-8-13-10(14)2/h4-9H,3H2,1-2H3
    • InChI Key： SRCTYXRBHWBWBE-UHFFFAOYSA-N
    • SMILES： S(C1C=CC(CC)=CC=1)(N1C=CN=C1C)(=O)=O

Computed Properties

  • Exact Mass: 250.07772
  • Monoisotopic Mass: 250.077598
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 342
  • 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
  • Topological Polar Surface Area: 60.3
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.23
  • Boiling Point: 429.6°C at 760 mmHg
  • Flash Point: 213.6°C
  • Refractive Index: 1.597
  • PSA: 51.96

1-[(4-ethylphenyl)sulfonyl]-2-methyl-1H-imidazole Related Literature

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