Cas no 79643-51-9 (Zinc;1,1-dioxo-1,2-benzothiazol-3-one)

Zinc;1,1-dioxo-1,2-benzothiazol-3-one structure
79643-51-9 structure
Product Name:Zinc;1,1-dioxo-1,2-benzothiazol-3-one
CAS No:79643-51-9
MF:C7H5NO3SZn
MW:248.593497037888
CID:984794
PubChem ID:54599001
Update Time:2025-04-20

Zinc;1,1-dioxo-1,2-benzothiazol-3-one Chemical and Physical Properties

Names and Identifiers

    • zinc,1,1-dioxo-1,2-benzothiazol-3-one
    • 1,1-dioxo-1,2-benzothiazol-3-one
    • Zinc
    • zinc;1,1-dioxo-1,2-benzothiazol-3-one
    • NSC-87832
    • NSC87832
    • DTXSID00712611
    • 79643-51-9
    • Zinc;1,1-dioxo-1,2-benzothiazol-3-one
    • Inchi: 1S/C7H5NO3S.Zn/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+2
    • InChI Key: CSNCXCJHFUWXQB-UHFFFAOYSA-N
    • SMILES: [Zn+2].S1(C2C=CC=CC=2C(N1)=O)(=O)=O

Computed Properties

  • Exact Mass: 246.928156g/mol
  • Monoisotopic Mass: 246.928156g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 303
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 71.6?2
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