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

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Properties Simple | Detailed

Formula C7H6N2O3S
IUPAC Name 6-amino-1,1-dioxo-1,2-benzothiazol-3-one
Molecular Mass 198.199 g·mol−1
Heat of Formation -371.1 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 196.38 Å 3
Surface Area 193.28 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2-benzisothiazol-3(2h)-one, 6-amino-, 1,1-dioxide
  • 6-amino-1,1-diketo-1,2-benzothiazol-3-one
  • 6-aminosaccharin
CAS Number(s)
  • 22094-62-8
InChIKey SSRKZHLPNHLAKM-UHFFFAOYSA-N
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