3-(1H-Tetrazol-5-Yl)-9H-Thioxanthen-9-One 10,10-Dioxide

Molecule SVG Image

Properties Simple | Detailed

Formula C14H8N4O3S
IUPAC Name 10,10-dioxo-3-(2h-tetrazol-5-yl)thioxanthen-9-one
Molecular Mass 312.303 g·mol−1
Heat of Formation 122.3 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 315.65 Å 3
Surface Area 286.02 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry Cs
Synonyms
  • 10,10-diketo-3-(2h-tetrazol-5-yl)thioxanthen-9-one
  • 10,10-dioxo-3-(2h-1,2,3,4-tetrazol-5-yl)thioxanthen-9-one
  • 10,10-dioxo-3-(2h-tetrazol-5-yl)-10h-10lambda*6*-thioxanthen-9-one
  • 10,10-dioxo-3-(2h-tetrazol-5-yl)-9-thioxanthenone
  • 3-(1h-tetraazol-5-yl)-9h-thioxanthen-9-one 10,10-dioxide
  • bas 00531982
  • doxantrol
  • oprea1_382578
  • oprea1_710946
CAS Number(s)
  • 51762-95-9
InChIKey VIDCTSLIEZMQRF-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