2-(3-Furoyl)-1,2-Benzothiazol-3(2H)-One 1,1-Dioxide

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Properties Simple | Detailed

Formula C12H7NO5S
IUPAC Name 2-(furan-3-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one
Molecular Mass 277.253 g·mol−1
Heat of Formation -509.2 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 279.79 Å 3
Surface Area 252.28 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzisothiazol-3(2h)-one, 2-(3-furanylcarbonyl)-, 1,1-dioxide
  • 2-(3-furyl-oxomethyl)-1,1-dioxo-1,2-benzothiazol-3-one
  • 2-(furan-3-carbonyl)-1,1-diketo-1,2-benzothiazol-3-one
  • 2-furan-3-ylcarbonyl-1,1-dioxo-1,2-benzothiazol-3-one
  • furoyl saccharin
CAS Number(s)
  • 79642-61-8
InChIKey VMKAVSBKFBAXTD-UHFFFAOYSA-N
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