3-Methyl-1H-2,1,3-Benzothiadiazin-4(3H)-One 2,2-Dioxide

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Properties Simple | Detailed

Formula C8H8N2O3S
IUPAC Name 3-methyl-2,2-dioxo-1h-2λ6,1,3-benzothiadiazin-4-one
Molecular Mass 212.226 g·mol−1
Heat of Formation -387.9 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 217.22 Å 3
Surface Area 206.57 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-2,1,3-benzothiadiazin-4(3h)-one, 3-methyl-, 2,2-dioxide
  • 2,2-diketo-3-methyl-1h-benzo[d][1,2,6]thiadiazin-4-one
  • 3-methyl-2,2-dioxide-(1h)2,1,3-benzothiadiazin*
  • 3-methyl-2,2-dioxo-1h-benzo[d][1,2,6]thiadiazin-4-one
CAS Number(s)
  • 2225-40-3
InChIKey UYQCNKJNSGSECZ-UHFFFAOYSA-N
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