5-(3,5-Di-Tert-Butyl-4-Hydroxybenzylidene)Thiazolidine-2,4-Dione

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Properties Simple | Detailed

Formula C18H23NO3S
IUPAC Name (5z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]thiazolidine-2,4-dione
Molecular Mass 333.445 g·mol−1
Heat of Formation -543.7 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 406.49 Å 3
Surface Area 341.14 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-(3,5-ditert-butyl-4-hydroxy-benzylidene)thiazolidine-2,4-quinone
  • (5z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]thiazolidine-2,4-dione
  • (5z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylidene]-1,3-thiazolidine-2,4-dione
  • (5z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylene]thiazolidine-2,4-dione
  • (5z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
  • 2,4-thiazolidinedione, 5-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-
  • 5-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2,4-thiazolidinedione
  • ci 987
CAS Number(s)
  • 127378-46-5
InChIKey VMWQYEAAXYPFCW-LCYFTJDESA-N
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