1,5-Dimethyl-2,2-Dioxo-6H-Imidazo[4,5-C][1,2,6]Thiadiazin-5-Ium-6-Ylium-4-Amine

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Properties Simple | Detailed

Formula C6H9N5O2S
IUPAC Name 1,5-dimethyl-2,2-dioxo-6h-imidazo[4,5-c][1,2,6]thiadiazin-5-ium-6-ylium-4-amine
Molecular Mass 215.233 g·mol−1
Heat of Formation -99.6 ± 16.7 kJ·mol−1
Dipole Moment 8.57 ± 1.08 D
Volume 221.68 Å 3
Surface Area 210.91 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2,2-diketo-1,5-dimethyl-imidazo[5,4-d][1,2,6]thiadiazin-4-yl)amine
  • 1,5-dimethyl-2,2-dioxo-4-imidazo[5,4-d][1,2,6]thiadiazinamine
  • 1,5-dimethyl-2,2-dioxo-imidazo[5,4-d][1,2,6]thiadiazin-4-amine
InChIKey QQJLCUWSKWRHBQ-UHFFFAOYSA-N
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