Tioxolone

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Properties Simple | Detailed

Formula C7H4O3S
IUPAC Name 6-hydroxy-1,3-benzoxathiol-2-one
Molecular Mass 168.170 g·mol−1
Heat of Formation -360.8 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 171.51 Å 3
Surface Area 172.93 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-benzoxathiol-2-one, 6-hydroxy-
  • 6-hydro-2-oxo-1,3-benzoxathiole
  • tioxolone [dcf:inn]
CAS Number(s)
  • 4991-65-5
InChIKey SLYPOVJCSQHITR-UHFFFAOYSA-N
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