(5R)-5-[4-Hydroxy-3,5-Bis(2-Methyl-2-Propanyl)Benzyl]-1,3-Thiazolidin-4-One

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Properties Simple | Detailed

Formula C18H27NO2S
IUPAC Name (5r)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]thiazolidin-4-one
Molecular Mass 321.477 g·mol−1
Heat of Formation -454.5 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 409.51 Å 3
Surface Area 340.89 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-5-(3,5-ditert-butyl-4-hydroxy-benzyl)thiazolidin-4-one
  • (5r)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-1,3-thiazolidin-4-one
  • (5r)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]thiazolidin-4-one
  • (5r)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-thiazolidin-4-one
  • (5r)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-thiazolidinone
  • 4-thiazolidinone, 5-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-
  • 5-(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3-thiazolidin-4-one
InChIKey ILMMRHUILQOQGP-CQSZACIVSA-N
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