Cas no 27839-75-4 (Ethanesulfonic acid,2-[[2-mercapto-1-(mercaptomethyl)ethyl]thio]-, sodium salt (1:1))

Ethanesulfonic acid,2-[[2-mercapto-1-(mercaptomethyl)ethyl]thio]-, sodium salt (1:1) structure
27839-75-4 structure
Product Name:Ethanesulfonic acid,2-[[2-mercapto-1-(mercaptomethyl)ethyl]thio]-, sodium salt (1:1)
CAS No:27839-75-4
MF:C5H11NaO3S4
MW:270.388807535172
CID:278556
PubChem ID:23681567
Update Time:2025-04-19

Ethanesulfonic acid,2-[[2-mercapto-1-(mercaptomethyl)ethyl]thio]-, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Ethanesulfonic acid,2-[[2-mercapto-1-(mercaptomethyl)ethyl]thio]-, sodium salt (1:1)
    • sodium,2-[1,3-bis(sulfanyl)propan-2-ylsulfanyl]ethanesulfonate
    • DTXSID40182152
    • Ethanesulfonic acid, 2-((2-mercapto-1-(mercaptomethyl)ethyl)thio)-, sodium salt
    • 27839-75-4
    • 2-((2-Mercapto-1-(mercaptomethyl)ethyl)thio)ethanesulfonic acid sodium salt
    • Inchi: 1S/C5H12O3S4.Na/c6-12(7,8)2-1-11-5(3-9)4-10;/h5,9-10H,1-4H2,(H,6,7,8);/q;+1/p-1
    • InChI Key: QHBFJBITMYKVKR-UHFFFAOYSA-M
    • SMILES: S(CCS(=O)(=O)[O-])C(CS)CS.[Na+]

Computed Properties

  • Exact Mass: 269.94903
  • Monoisotopic Mass: 269.94887318g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 196
  • 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: 92.9?2

Experimental Properties

  • PSA: 57.2
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