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

Molecule SVG Image

Properties Simple | Detailed

Formula C13H9NOS
IUPAC Name 2-phenylthiazolo[3,2-a]pyridin-4-ium-3-olate
Molecular Mass 227.282 g·mol−1
Heat of Formation 153.4 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 257.67 Å 3
Surface Area 242.01 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -1.72 ± 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
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N