Isothiazolidinone

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Properties Simple | Detailed

Formula C3H5NOS
IUPAC Name isothiazolidin-3-one
Molecular Mass 103.143 g·mol−1
Heat of Formation -148.2 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 114.34 Å 3
Surface Area 124.5 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2-thiazolidin-3-one
  • 3-isothiazolidinone
InChIKey UEFCKYIRXORTFI-UHFFFAOYSA-N
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