1-[(4-Carboxybenzyl)(Sulfanylcarbonothioyl)Amino]-1-Deoxy-D-Glucitol

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Properties Simple | Detailed

Formula C15H21NO7S2
IUPAC Name 4-[[dithiocarboxy-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]methyl]benzoic acid
Molecular Mass 391.460 g·mol−1
Heat of Formation -1169.2 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 440.19 Å 3
Surface Area 368.95 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[dithiocarboxy-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]methyl]benzoic acid
  • d-glucitol, 1-(((4-carboxyphenyl)methyl)(dithiocarboxy)amino)-1-deoxy-
  • n-4-carboxybenzylglucamine dithiocarbamate
  • n-cbgd
  • n-p-carboxybenzyl-d-glucamine dithiocarbamate
CAS Number(s)
  • 127531-18-4
InChIKey FVBVEHVQVWFUKG-UMSGYPCISA-N
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