Benzisothiazolone

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Properties Simple | Detailed

Formula C7H5NOS
IUPAC Name 1,2-benzothiazol-3-one
Molecular Mass 151.186 g·mol−1
Heat of Formation -2.5 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 163.27 Å 3
Surface Area 164.7 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2-benzisothiazol-3(2h)-one
  • 1,2-benzisothiazol-3-one
  • 1,2-benzisothiazolin-3-one
  • 1,2-benzisothiazoline-3-one
  • caswell no. 079a
  • caswell no. 513a
  • epa pesticide chemical code 098901
  • ipx
  • proxan
  • proxel pl
  • t5241073
CAS Number(s)
  • 101964-01-6
  • 2634-33-5
  • 40991-37-5
  • 54392-14-2
  • 75037-67-1
InChIKey DMSMPAJRVJJAGA-UHFFFAOYSA-N
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