Cas no 12216-87-4 (Benzenediazonium,5-[(dimethylamino)sulfonyl]-2-methyl-)

Benzenediazonium,5-[(dimethylamino)sulfonyl]-2-methyl- structure
12216-87-4 structure
Product Name:Benzenediazonium,5-[(dimethylamino)sulfonyl]-2-methyl-
CAS No:12216-87-4
MF:C9H12N3O2S
MW:226.275480270386
CID:196630
PubChem ID:71434838
Update Time:2025-04-19

Benzenediazonium,5-[(dimethylamino)sulfonyl]-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenediazonium,5-[(dimethylamino)sulfonyl]-2-methyl-
    • 5-[(Dimethylamino)sulfonyl]-2-methylbenzenediazonium
    • 5-(Dimethylsulfamoyl)-2-methylbenzenediazonium
    • LogP
    • DTXSID901217378
    • 12216-87-4
    • Inchi: 1S/C9H12N3O2S/c1-7-4-5-8(6-9(7)11-10)15(13,14)12(2)3/h4-6H,1-3H3/q+1
    • InChI Key: GZZYYFSARFMSHC-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=C(C=1)[N+]#N)(N(C)C)(=O)=O

Computed Properties

  • Exact Mass: 226.06516
  • Monoisotopic Mass: 226.065
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 363
  • 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: 73.9A^2
  • XLogP3: 2.1

Experimental Properties

  • PSA: 65.53
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