4-[(1Z)-N-Carbamothioyloctanehydrazonoyl]-N-Ethyl-N,N-Dimethylanilinium

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Properties Simple | Detailed

Formula C19H33N4S+
IUPAC Name [4-[(z)-n-(carbamothioylamino)-c-heptyl-carbonimidoyl]phenyl]-ethyl-dimethyl-ammonium
Molecular Mass 349.557 g·mol−1
Heat of Formation 4039.9 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 370.1 Å 3
Surface Area 347.68 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -2.86 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(1z)-1-(carbamothioylhydrazono)octyl]phenyl]-ethyl-dimethylammonium
  • [4-[n-(carbamothioylamino)-c-heptyl-carbonimidoyl]phenyl]-ethyl-dimethyl-ammonium
  • [4-[n-(carbamothioylamino)-c-heptyl-carbonimidoyl]phenyl]-ethyl-dimethyl-azanium
  • benzenaminium, 4-(1-((aminothioxomethyl)hydrazono)octyl)-n-ethyl-n,n-dimethyl-
  • ethyl-[4-[c-heptyl-n-(thiocarbamoylamino)carbonimidoyl]phenyl]-dimethyl-ammonium
  • m&b 15,944
  • m&b 15944
  • m&b-15,944
  • m&b-15944
  • p-dimethylaminophenyl heptyl ketone thiosemicarbazone ethiodide
CAS Number(s)
  • 26672-76-4
InChIKey JJIDPCVYDAUDDT-UZYVYHOESA-O
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