2-Phenyl[1,3]Thiazolo[3,2-A]Pyridin-4-Ium-3-Olate

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Properties Simple | Detailed

Formula C13H10NOS+
IUPAC Name 2-phenylthiazolo[3,2-a]pyridin-4-ium-3-olate
Molecular Mass 228.290 g·mol−1
Heat of Formation 153.4 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 258.1 Å 3
Surface Area 242.38 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-phenyl-3-thiazolo[3,2-a]pyridin-4-iumolate
  • 2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate
  • anhydro-2-phenyl-3-hydroxythiazolo(3,2-a)pyridinium
  • anhydro-2-phenyl-3-hydroxythiazolo(3,2-a)pyridinium hydroxide
  • aphtph
  • thiazolo(3,2-a)pyridinium, 3-hydroxy-2-phenyl-, hydroxide, inner salt (8ci)(9ci)
  • thiazolo[3,2-a]pyridinium, 3-hydroxy-2-phenyl-, hydroxide, inner salt
CAS Number(s)
  • 32044-03-4
InChIKey QATLDNWNHCIBKT-UHFFFAOYSA-N
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