6-Cyclohexyl-3-(2-Furyl)[1,2,4]Triazolo[3,4-B][1,3,4]Thiadiazole

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Formula C13H14N4OS
IUPAC Name 6-cyclohexyl-3-(2-furyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-4,7-diium
Molecular Mass 274.341 g·mol−1
Heat of Formation 346.0 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 310.43 Å 3
Surface Area 285.65 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-cyclohexyl-3-(2-furyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
  • 6-cyclohexyl-3-furan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
InChIKey SWTUPSNBTSPBIH-UHFFFAOYSA-N
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