(Z)-5-(3,5-Di-Tert-Butyl-4-Hydroxybenzylidene)-2-Iminothiazolidin-4-One

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Properties Simple | Detailed

Formula C18H24N2O2S
IUPAC Name (5z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]thiazol-4-one
Molecular Mass 332.460 g·mol−1
Heat of Formation -271.0 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 412.96 Å 3
Surface Area 346.91 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-2-amino-5-(3,5-ditert-butyl-4-hydroxy-benzylidene)thiazol-4-one
  • (5z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]thiazol-4-one
  • (5z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylidene]-1,3-thiazol-4-one
  • (5z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylene]-4-thiazolone
  • (5z)-2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
  • 5-((z)-3,5-di-tert-butyl-4-hydroxybenzylidene)-2-imino-4-thiazolidinone.
  • darbufelone
CAS Number(s)
  • 139226-28-1
InChIKey AKTXOQVMWSFEBQ-LCYFTJDESA-N
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