5-(3-Hydroxyphenyl)-1,2-Thiazol-3(2H)-One 1,1-Dioxide

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Properties Simple | Detailed

Formula C9H7NO4S
IUPAC Name 5-(3-hydroxyphenyl)-1,1-dioxo-isothiazol-3-one
Molecular Mass 225.221 g·mol−1
Heat of Formation -483.8 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 230.86 Å 3
Surface Area 221.08 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(3-hydroxyphenyl)-1,1-diketo-isothiazol-3-one
  • 5-(3-hydroxyphenyl)-1,1-dioxo-1,2-thiazol-3-one
  • 5-(3-hydroxyphenyl)-1,1-dioxo-3-isothiazolone
  • 5-(3-hydroxyphenyl)isothiazol-3(2h)-one 1,1-dioxide
InChIKey FJABEDRGNJSWCC-UHFFFAOYSA-N
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