5-[(2S)-2,3-Dihydro-1,4-Benzodioxin-2-Yl]-1,2-Dihydro-3H-1,2,4-Triazole-3-Thione

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Formula C10H9N3O2S
IUPAC Name 5-[(3s)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,2,4-triazole-2,4-diium-3-thione
Molecular Mass 235.262 g·mol−1
Heat of Formation 40.0 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 253.3 Å 3
Surface Area 242.76 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-dihydro-1,2,4-triazole-3-thione
InChIKey WDUGNJIRKJHDNF-MRVPVSSYSA-N
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