Cas no 1582310-45-9 (Bis((((phenylsulfonyl)methyl)sulfinyl)oxy)zinc)

Bis((((phenylsulfonyl)methyl)sulfinyl)oxy)zinc structure
1582310-45-9 structure
Product Name:Bis((((phenylsulfonyl)methyl)sulfinyl)oxy)zinc
CAS No:1582310-45-9
MF:C14H16O8S4Zn
MW:505.941036224365
CID:6641348
PubChem ID:117065320
Update Time:2024-01-29

Bis((((phenylsulfonyl)methyl)sulfinyl)oxy)zinc Chemical and Physical Properties

Names and Identifiers

    • Bis((((phenylsulfonyl)methyl)sulfinyl)oxy)zinc
    • Zinc bis[(phenylsulfonyl)methanesulfinate], 95% (H-NMR)
    • 1582310-45-9
    • Baran psms reagent
    • Inchi: 1S/2C7H8O4S2.Zn/c2*8-12(9)6-13(10,11)7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,8,9);
    • InChI Key: WKAMIZOWZDXOQH-UHFFFAOYSA-N
    • SMILES: [Zn].S(C1C=CC=CC=1)(CS(=O)O)(=O)=O.S(C1C=CC=CC=1)(CS(=O)O)(=O)=O

Computed Properties

  • Exact Mass: 503.901944g/mol
  • Monoisotopic Mass: 503.901944g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 6
  • Complexity: 609
  • 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: 198?2
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