Cas no 12068-16-5 (Benzenesulfonic acid,dodecyl-, zinc salt (2:1))

Benzenesulfonic acid,dodecyl-, zinc salt (2:1) structure
12068-16-5 structure
Product Name:Benzenesulfonic acid,dodecyl-, zinc salt (2:1)
CAS No:12068-16-5
MF:C18H30O3SZn
MW:391.903001308441
CID:176190
PubChem ID:57347075
Update Time:2025-04-19

Benzenesulfonic acid,dodecyl-, zinc salt (2:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,dodecyl-, zinc salt (2:1)
    • dodecyl benzenesulfonate,zinc
    • ZINC DODECYLBENZENESULFONATE
    • zinc dodecylbenzenesulphonate
    • Benzenesulfonic acid, dodecyl-, zinc salt
    • Dodecylbenzenesulfonic acid, zinc salt
    • zinc bis(2-dodecylbenzenesulfonate)
    • Dodecyl benzenesulfonate--zinc (1/1)
    • DTXSID50923518
    • 12068-16-5
    • SCHEMBL2962349
    • Inchi: 1S/C18H30O3S.Zn/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18;/h11-13,15-16H,2-10,14,17H2,1H3;
    • InChI Key: RPXYMVMDOAUFGX-UHFFFAOYSA-N
    • SMILES: [Zn].S(C1C=CC=CC=1)(=O)(=O)OCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 714.29684
  • Monoisotopic Mass: 390.120708g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 13
  • Complexity: 340
  • 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: 51.8?2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 114.4

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