2,2'-{Disulfanediylbis[(1-Oxo-2,1-Ethanediyl)Oxy]}Bis(N,N,N-Trimethylethanaminium)

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Properties Simple | Detailed

Formula C14H30N2O4S2++
IUPAC Name trimethyl-[2-[2-[[2-oxo-2-[2-(trimethylammonio)ethoxy]ethyl]disulfanyl]acetyl]oxyethyl]ammonium
Molecular Mass 354.529 g·mol−1
Heat of Formation -245.4 ± 16.7 kJ·mol−1
Dipole Moment 20.06 ± 1.08 D
Volume 460.14 Å 3
Surface Area 359.43 Å 2
HOMO Energy -3.24 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[2-keto-2-(2-trimethylammonioethoxy)ethyl]disulfanylacetyl]oxyethyl-trimethyl-ammonium
  • dithiobis(acetylcholine)
  • dithiobisacetylcholine
  • dt-ach
  • ethanaminium, 2,2'-(dithiobis((1-oxo-2,1-ethanediyl)oxy))bis(n,n,n-trimethyl-
  • trimethyl-[2-[1-oxo-2-[2-oxo-2-(2-trimethylammonioethoxy)ethyl]disulfanylethoxy]ethyl]ammonium
  • trimethyl-[2-[2-[2-oxo-2-(2-trimethylammonioethoxy)ethyl]disulfanylacetyl]oxyethyl]ammonium
  • trimethyl-[2-[2-[2-oxo-2-(2-trimethylazaniumylethoxy)ethyl]disulfanylacetyl]oxyethyl]azanium
  • trimethyl-[2-[2-[2-oxo-2-(2-trimethylazaniumylethoxy)ethyl]disulfanylethanoyloxy]ethyl]azanium
CAS Number(s)
  • 27142-51-4
InChIKey IFTSGIXPEOBONA-UHFFFAOYSA-N
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