5-Amino-1,2-Benzothiazol-3(2H)-One 1,1-Dioxide

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Properties Simple | Detailed

Formula C7H6N2O3S
IUPAC Name 5-amino-1,1-dioxo-1,2-benzothiazol-3-one
Molecular Mass 198.199 g·mol−1
Heat of Formation -375.3 ± 16.7 kJ·mol−1
Dipole Moment 6.91 ± 1.08 D
Volume 197.55 Å 3
Surface Area 193.72 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2-benzisothiazol-3(2h)-one, 5-amino-, 1,1-dioxide
  • 5-amino-1,1-diketo-1,2-benzothiazol-3-one
  • 5-aminosaccharin
CAS Number(s)
  • 22094-61-7
InChIKey XHLASMNHDRLNJQ-UHFFFAOYSA-N
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