1-[Benzyl(Sulfanylcarbonothioyl)Amino]-1-Deoxy-D-Glucitol

Molecule SVG Image

Properties Simple | Detailed

Formula C14H21NO5S2
IUPAC Name benzyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
Molecular Mass 347.450 g·mol−1
Heat of Formation -806.0 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 402.72 Å 3
Surface Area 332.61 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • [[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]-(phenylmethyl)amino]methanedithioic acid
  • [benzyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]methanedithioic acid
  • benzylglucamine-n-carbodithioate
  • bgdtc
  • d-glucitol, 1-deoxy-1-((dithiocarboxy)(phenylmethyl)amino)-
  • n-benzyl-d-glucamine dithiocarbamate
  • n-benzyl-n-dithiocarboxy-d-glucamine
  • n-benzylglucamine dithiocarbamate
InChIKey SCJXRYDTCFHSQX-UMSGYPCISA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N