1-Methyl-3-Oxo-1,3-Dihydro-2,1-Benzothiazole-5-Sulfonamide

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Properties Simple | Detailed

Formula C8H8N2O3S2
IUPAC Name 1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
Molecular Mass 244.291 g·mol−1
Heat of Formation -326.5 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 249.15 Å 3
Surface Area 234.34 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-3-oxo-1,3-dihydro-benzo[c]isothiazole-5-sulfonic acid amide
  • 3-keto-1-methyl-2,1-benzothiazole-5-sulfonamide
  • btb 03218
  • sg2
InChIKey DFPYCCVFXMWMJM-UHFFFAOYSA-N
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