1-Thio-D-Glucose

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Properties Simple | Detailed

Formula C6H12O5S
IUPAC Name (2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanethial
Molecular Mass 196.221 g·mol−1
Heat of Formation -849.2 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 221.19 Å 3
Surface Area 204.03 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanethial
  • 1-thio-beta-d-glucose
  • 1-thioglucose
  • beta-d-glucopyranose, 1-thio-
  • sodium thioglucse
CAS Number(s)
  • 7534-35-2
InChIKey ABXYOVCSAGTJAC-JGWLITMVSA-N
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