Cas no 14494-69-0 (Zincate(2-),bis[8-(hydroxy-kO)-5-quinolinesulfonato(2-)-kN1]-, dihydrogen, (T-4)- (9CI))

Zincate(2-),bis[8-(hydroxy-kO)-5-quinolinesulfonato(2-)-kN1]-, dihydrogen, (T-4)- (9CI) structure
14494-69-0 structure
Product Name:Zincate(2-),bis[8-(hydroxy-kO)-5-quinolinesulfonato(2-)-kN1]-, dihydrogen, (T-4)- (9CI)
CAS No:14494-69-0
MF:C18H12N2O8S2Zn
MW:513.835478782654
CID:166610
PubChem ID:203457
Update Time:2025-04-19

Zincate(2-),bis[8-(hydroxy-kO)-5-quinolinesulfonato(2-)-kN1]-, dihydrogen, (T-4)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Zincate(2-),bis[8-(hydroxy-kO)-5-quinolinesulfonato(2-)-kN1]-, dihydrogen, (T-4)- (9CI)
    • Zinc(II), bis(5-sulfo-8-quinolinolato-N(sup 1),O(sup 8))-
    • NSC 166687
    • Zinc, bis(5-sulfo-8-quinolinolato)-
    • Zincate(2-), bis(8-hydroxy-5-quinolinesulfonato(2-)-N1,O8)-, dihydrogen, (T-4)-
    • 14494-69-0
    • Inchi: 1S/2C9H7NO4S.Zn/c2*11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h2*1-5,11H,(H,12,13,14);/q;;+2/p-2
    • InChI Key: RRMHYLZMKFYSRT-UHFFFAOYSA-L
    • SMILES: [Zn+2].S(C1=CC=C(C2C1=CC=CN=2)[O-])(=O)(=O)[O-].S(C1=CC=C(C2C1=CC=CN=2)[O-])(=O)(=O)[O-].[H+].[H+]

Computed Properties

  • Exact Mass: 511.93266
  • Monoisotopic Mass: 511.932649g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 0
  • Complexity: 310
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 203?2

Experimental Properties

  • PSA: 180.64
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