4-(Benzothiazol-2-Yl)-4-Hydroxy-2,5-Cyclohexadien-1-One

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Formula C13H10NO2S
IUPAC Name 4-(1,3-benzothiazol-3-ium-7a-id-2-yl)-4-hydroxy-cyclohexa-2,5-dien-1-one
Molecular Mass 244.289 g·mol−1
Heat of Formation 35.9 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 269.01 Å 3
Surface Area 247.58 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(1,3-benzothiazol-2-yl)-4-hydroxy-1-cyclohexa-2,5-dienone
  • 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one
  • 4-benzothiazol-2-yl-4-hydroxy-cyclohexa-2,5-dienone
InChIKey SDYBYKXWYDVVKP-UHFFFAOYSA-N
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