Cas no 26622-66-2 (2(3H)-Benzothiazolethione,mercury(2+) salt (2:1))

2(3H)-Benzothiazolethione,mercury(2+) salt (2:1) structure
26622-66-2 structure
Product Name:2(3H)-Benzothiazolethione,mercury(2+) salt (2:1)
CAS No:26622-66-2
MF:C14H8HgN2S4
MW:533.076713562012
CID:283904
PubChem ID:189948
Update Time:2025-04-19

2(3H)-Benzothiazolethione,mercury(2+) salt (2:1) Chemical and Physical Properties

Names and Identifiers

    • 2(3H)-Benzothiazolethione,mercury(2+) salt (2:1)
    • 1,3-benzothiazole-2-thiolate,mercury(2+)
    • 26622-66-2
    • mercury bis(1,3-benzothiazole-2-thiolate)
    • 2(3H)-Benzothiazolethione, mercury(2+) salt
    • DTXSID70949457
    • Inchi: 1S/2C7H5NS2.Hg/c2*9-7-8-5-3-1-2-4-6(5)10-7;/h2*1-4H,(H,8,9);/q;;+2/p-2
    • InChI Key: AHANKAXHBJGGHJ-UHFFFAOYSA-L
    • SMILES: [Hg+2].S1C(=NC2C=CC=CC1=2)[S-].S1C(=NC2C=CC=CC1=2)[S-]

Computed Properties

  • Exact Mass: 527.92324
  • Monoisotopic Mass: 533.927677g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 129
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 84.3?2

Experimental Properties

  • PSA: 25.78
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