Cas no 19872-38-9 (Ethanesulfonic acid,2-[(2,3-dimercaptopropyl)thio]-, sodium salt (1:1))

Ethanesulfonic acid,2-[(2,3-dimercaptopropyl)thio]-, sodium salt (1:1) structure
19872-38-9 structure
Product Name:Ethanesulfonic acid,2-[(2,3-dimercaptopropyl)thio]-, sodium salt (1:1)
CAS No:19872-38-9
MF:C5H11NaO3S4
MW:270.388807535172
CID:140222
PubChem ID:23663461
Update Time:2025-04-19

Ethanesulfonic acid,2-[(2,3-dimercaptopropyl)thio]-, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Ethanesulfonic acid,2-[(2,3-dimercaptopropyl)thio]-, sodium salt (1:1)
    • Ethanesulfonic acid, 2-((2,3-dimercaptopropyl)thio)-, sodium salt
    • 2-((2,3-Dimercaptopropyl)thio)ethanesulfonic acid sodium salt
    • sodium 2-[(2,3-disulfanylpropyl)sulfanyl]ethanesulfonate
    • sodium;2-[2,3-bis(sulfanyl)propylsulfanyl]ethanesulfonate
    • Sodium 2-{[2,3-bis(sulfanyl)propyl]sulfanyl}ethane-1-sulfonate
    • 19872-38-9
    • DTXSID50941717
    • Inchi: 1S/C5H12O3S4.Na/c6-12(7,8)2-1-11-4-5(10)3-9;/h5,9-10H,1-4H2,(H,6,7,8);/q;+1/p-1
    • InChI Key: UNGPZZJVYBXAEY-UHFFFAOYSA-M
    • SMILES: S(CCS(=O)(=O)[O-])CC(CS)S.[Na+]

Computed Properties

  • Exact Mass: 269.94903
  • Monoisotopic Mass: 269.949
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 200
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 92.9A^2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 57.2
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