2,2'-[(1,4-Dioxo-1,4-Butanediyl)Disulfanediyl]Bis(N,N,N-Trimethylethanaminium)

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Properties Simple | Detailed

Formula C14H30N2O2S2++
IUPAC Name n,n-dimethylmethanamine; ethylene; 4-oxo-4-[2-(trimethylammonio)ethylsulfanyl]butanethioate
Molecular Mass 322.530 g·mol−1
Heat of Formation -234.5 ± 16.7 kJ·mol−1
Dipole Moment 12.54 ± 1.08 D
Volume 446.94 Å 3
Surface Area 375.09 Å 2
HOMO Energy -7.36 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[1,4-dioxo-4-(2-trimethylammonioethylthio)butyl]thio]ethyl-trimethylammonium
  • 2-[[4-keto-4-(2-trimethylammonioethylthio)butanoyl]thio]ethyl-trimethyl-ammonium
  • ethanaminium, 2,2'-((1,4-dioxo-1,4-butanediyl)bis(thio))bis(n,n,n-trimethyl-
  • succinyldithiocholine
  • trimethyl-[2-[4-oxo-4-(2-trimethylammonioethylsulfanyl)butanoyl]sulfanylethyl]ammonium
  • trimethyl-[2-[4-oxo-4-(2-trimethylazaniumylethylsulfanyl)butanoyl]sulfanylethyl]azanium
CAS Number(s)
  • 15196-10-8
InChIKey UFPJLFHIAWIYIW-UHFFFAOYSA-N
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