2-Phenyl-3-Thiaisoindolin-1-One

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Properties Simple | Detailed

Formula C13H9NOS
IUPAC Name 2-phenyl-1,2-benzothiazol-3-one
Molecular Mass 227.282 g·mol−1
Heat of Formation 112.2 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 254.59 Å 3
Surface Area 239.75 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzisothiazol-3(2h)-one, 2-phenyl-
  • 2-phenyl-1,2-benzisothiazol-3(2h)-one
  • 2-phenyl-1,2-benzisothiazol-3-(2h)-one
  • 2-phenyl-1,2-benzoisothiazol-3(2h)-one
  • ag-690/40083036
  • pz 25
  • pz-25
  • rp 62373
CAS Number(s)
  • 2527-03-9
InChIKey KDMQSUUXKLZVNU-UHFFFAOYSA-N
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