1,3-Dihydro-2,1,3-Benzothiadiazole 2,2-Dioxide

Molecule SVG Image

Properties Simple | Detailed

Formula C6H6N2O2S
IUPAC Name 1,3-dihydro-2λ6,1,3-benzothiadiazole 2,2-dioxide
Molecular Mass 170.189 g·mol−1
Heat of Formation -181.8 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 171.01 Å 3
Surface Area 173.63 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C2
Synonyms
  • 1,3-btdzd
  • 1,3-dihydro-2,2-dioxide-2,1,3-benzothiadiazole
  • 1,3-dihydrobenzo[c][1,2,5]thiadiazole 2,2-dioxide
  • 1,3-dihydropiazthiole 2,2-dioxide
  • 1h,3h-2,1,3-benzothiadiazole 2,2-dioxide
  • 2,1,3-benzothiadiazole, 1,3-dihydro-, 2,2-dioxide
CAS Number(s)
  • 1615-06-1
InChIKey AUAGRMVWKUSEBX-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