1-(5-Nitro-1,3-Thiazol-2-Yl)-1,3-Dihydro-2H-Imidazol-2-One

Molecule SVG Image

Properties Simple | Detailed

Formula C6H4N4O3S
IUPAC Name 1-(5-nitrothiazol-2-yl)imidazole-1,3-diium-2-one
Molecular Mass 212.186 g·mol−1
Heat of Formation 89.8 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 208.0 Å 3
Surface Area 204.38 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(5-nitro-1,3-thiazol-2-yl)-3h-imidazol-2-one
  • 1-(5-nitro-2-thiazolyl)-3h-imidazol-2-one
  • 1-(5-nitrothiazol-2-yl)-3h-imidazol-2-one
  • 2h-imidazol-2-one, 1,3-dihydro-1-(5-nitro-2-thiazolyl)-
  • 4,5-dehydroniridazole
CAS Number(s)
  • 72589-89-0
InChIKey INIJUCZWAVAVAO-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N