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

Molecule SVG Image

Properties Simple | Detailed

Formula C8H17NO5S2
IUPAC Name methyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
Molecular Mass 271.354 g·mol−1
Heat of Formation -921.5 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 307.95 Å 3
Surface Area 270.75 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • [methyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]methanedithioic acid
  • n-methyl-d-glucamine dithiocarbamate
CAS Number(s)
  • 94161-07-6
InChIKey IBVJFULICYLKCE-BDVNFPICSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N