Cas no 54664-51-6 (Benzeneethanesulfonylazide, 4-methyl-)

Benzeneethanesulfonylazide, 4-methyl- structure
54664-51-6 structure
Product Name:Benzeneethanesulfonylazide, 4-methyl-
CAS No:54664-51-6
MF:C9H11N3O2S
MW:225.267540216446
CID:382440
PubChem ID:3553829
Update Time:2025-04-19

Benzeneethanesulfonylazide, 4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzeneethanesulfonylazide, 4-methyl-
    • N-diazo-2-(4-methylphenyl)ethanesulfonamide
    • DTXSID80393588
    • 54664-51-6
    • NSC-209858
    • NSC209858
    • Inchi: 1S/C9H11N3O2S/c1-8-2-4-9(5-3-8)6-7-15(13,14)12-11-10/h2-5H,6-7H2,1H3
    • InChI Key: MADPENMEXCSHLO-UHFFFAOYSA-N
    • SMILES: S(CCC1C=CC(C)=CC=1)(N=[N+]=[N-])(=O)=O

Computed Properties

  • Exact Mass: 225.05733
  • Monoisotopic Mass: 225.05719778g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 333
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 3.2
  • Topological Polar Surface Area: 56.9?2

Experimental Properties

  • PSA: 82.9
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