3H-1,2-Benzoxathiole 2,2-Dioxide

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Properties Simple | Detailed

Formula C7H6O3S
IUPAC Name 3h-1,2λ6-benzoxathiole 2,2-dioxide
Molecular Mass 170.186 g·mol−1
Heat of Formation -384.8 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 172.01 Å 3
Surface Area 173.22 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-hydroxy-alpha-toluenesulfonic acid sultone
  • 3h-1,2-benzoxathiole, 2,2-dioxide
  • 3h-benzo[d][1,2]oxathiole 2,2-dioxide
  • 3h-benzo[d]oxathiole 2,2-dioxide
  • benzenemethanesulfonic acid, 2-hydroxy-, .gamma.-sultone
  • benzenemethanesulfonic acid, 2-hydroxy-, gamma-sultone
CAS Number(s)
  • 10284-44-3
InChIKey LSZOWIZRLIKGIU-UHFFFAOYSA-N
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