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

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Properties Simple | Detailed

Formula C15H23NO6S2
IUPAC Name (4-methoxyphenyl)methyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
Molecular Mass 377.476 g·mol−1
Heat of Formation -957.8 ± 16.7 kJ·mol−1
Dipole Moment 6.24 ± 1.08 D
Volume 439.76 Å 3
Surface Area 366.33 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((dithiocarboxy)((4-methoxyphenyl)methyl)amino)-1-deoxy-d-glucitol
  • [(4-methoxybenzyl)-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]methanedithioic acid
  • [(4-methoxyphenyl)methyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]methanedithioic acid
  • d-glucitol, 1-deoxy-1-((dithiocarboxy)((4-methoxyphenyl)methyl)amino)-
  • meobgdtc
  • n-(4-methoxybenzyl)-n-dithiocarboxy-d-glucamine
  • n-(4-methoxybenzyl)glucamine dithiocarbamate
  • n-(4-methoxybenzyl)glucamine-n-carbodithioate
CAS Number(s)
  • 115459-35-3
  • 115384-16-2
InChIKey TZHIVOUINWKLSG-REWJHTLYSA-N
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