Cas no 6939-25-9 (3-tert-butyloxadiazol-3-ium-5-olate)

3-tert-butyloxadiazol-3-ium-5-olate structure
6939-25-9 structure
Product Name:3-tert-butyloxadiazol-3-ium-5-olate
CAS No:6939-25-9
MF:C6H10N2O2
MW:142.155801296234
CID:1736641
PubChem ID:151444
Update Time:2025-04-21

3-tert-butyloxadiazol-3-ium-5-olate Chemical and Physical Properties

Names and Identifiers

    • 3-tert-butyloxadiazol-3-ium-5-olate
    • AC1L46CF
    • 3-tert-Butylsydnone
    • Sydnone, 3-tert-butyl-
    • 3-(1,1-dimethylethyl)sydnone
    • Sydnone,1-dimethylethyl)-
    • SureCN5906639
    • Sydnone, 3-(1,1-dimethylethyl)-
    • 3-(t-butyl)sydnone
    • N-tert-Butylsydnone
    • 3-tert.-Butyl-sydnon
    • N-tert.Butylsydnon
    • BRN 4135081
    • 3-tert-butyl-sydnone
    • 3-tert-Butyl-sydnon
    • 3-tert.-Butyl-sydnon;N-tert.Butylsydnon;Sydnone,3-tert-butyl;3-tert-Butylsydnone;N-tert-Butylsydnone;Sydnone,1-dimethylethyl);
    • 3-t-butylsydnone
    • NSC 56795
    • 6939-25-9
    • NSC-56795
    • 3-(1,1-dimethylethyl)-sydnone
    • DTXSID90219503
    • SCHEMBL5906639
    • NSC56795
    • Inchi: 1S/C6H10N2O2/c1-6(2,3)8-4-5(9)10-7-8/h4H,1-3H3
    • InChI Key: YPJWMANOXFBBFC-UHFFFAOYSA-N
    • SMILES: O1C(=C[N+](C(C)(C)C)=N1)[O-]

Computed Properties

  • Exact Mass: 142.07400
  • Monoisotopic Mass: 142.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 121
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 53?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 52.97000
  • LogP: 0.86090
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