5-(3,5-Bis(1,1-Dimethylethyl)-4-Hydroxyphenyl)Methylene-N-Methyl-4-Thiazolidinone

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Properties Simple | Detailed

Formula C19H27NO2S
IUPAC Name (5z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-methyl-thiazolidin-4-one
Molecular Mass 333.488 g·mol−1
Heat of Formation -368.5 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 423.65 Å 3
Surface Area 357.06 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-methyl-thiazolidin-4-one
  • (5z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-methyl-thiazolidin-4-one
  • (5z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
  • (5z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylene]-3-methyl-4-thiazolidinone
  • 4-thiazolidinone, 5-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-3-methyl-
  • ly 25648
  • ly-256548
CAS Number(s)
  • 107889-31-6
InChIKey IXCMEASJCGKKQS-GDNBJRDFSA-N
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