Cas no 15196-10-8 (Ethanaminium,2,2'-[(1,4-dioxo-1,4-butanediyl)bis(thio)]bis[N,N,N-trimethyl-)

Ethanaminium,2,2'-[(1,4-dioxo-1,4-butanediyl)bis(thio)]bis[N,N,N-trimethyl- structure
15196-10-8 structure
Product Name:Ethanaminium,2,2'-[(1,4-dioxo-1,4-butanediyl)bis(thio)]bis[N,N,N-trimethyl-
CAS No:15196-10-8
MF:C14H30N2O2S2
MW:322.530201435089
CID:163597
PubChem ID:167259
Update Time:2025-04-19

Ethanaminium,2,2'-[(1,4-dioxo-1,4-butanediyl)bis(thio)]bis[N,N,N-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • Ethanaminium,2,2'-[(1,4-dioxo-1,4-butanediyl)bis(thio)]bis[N,N,N-trimethyl-
    • succinyldithiocholine
    • 2,2'-[(1,4-dioxobutane-1,4-diyl)disulfanediyl]bis(N,N,N-trimethylethanaminium)
    • Ethanaminium, 2,2'-((1,4-dioxo-1,4-butanediyl)bis(thio))bis(N,N,N-trimethyl-
    • 15196-10-8
    • 2,2'-[(1,4-Dioxobutane-1,4-diyl)disulfanediyl]bis(N,N,N-trimethylethan-1-aminium)
    • SCHEMBL5335351
    • DTXSID70934388
    • trimethyl-[2-[4-oxo-4-[2-(trimethylazaniumyl)ethylsulfanyl]butanoyl]sulfanylethyl]azanium
    • Inchi: 1S/C14H30N2O2S2/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2
    • InChI Key: UFPJLFHIAWIYIW-UHFFFAOYSA-N
    • SMILES: S(C(CCC(=O)SCC[N+](C)(C)C)=O)CC[N+](C)(C)C

Computed Properties

  • Exact Mass: 322.1751
  • Monoisotopic Mass: 322.17487055g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 11
  • Complexity: 288
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 84.7?2

Experimental Properties

  • PSA: 34.14
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