(5S)-5-(3,4-Dihydroxybenzyl)-3-Phenyl-2-Thioxo-4-Imidazolidinone

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Properties Simple | Detailed

Formula C16H14N2O3S
IUPAC Name (5s)-5-[(3,4-dihydroxyphenyl)methyl]-3-phenyl-2-thioxo-imidazolidin-4-one
Molecular Mass 314.359 g·mol−1
Heat of Formation -232.1 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 357.69 Å 3
Surface Area 319.89 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-5-(3,4-dihydroxybenzyl)-3-phenyl-2-thioxo-imidazolidin-4-one
  • (5s)-5-[(3,4-dihydroxyphenyl)methyl]-3-phenyl-2-sulfanylidene-imidazolidin-4-one
  • (5s)-5-[(3,4-dihydroxyphenyl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one
  • (5s)-5-[(3,4-dihydroxyphenyl)methyl]-3-phenyl-2-thioxo-4-imidazolidinone
  • (5s)-5-[(3,4-dihydroxyphenyl)methyl]-3-phenyl-2-thioxo-imidazolidin-4-one
  • (s)-5-((3,4-dihydroxyphenyl)methyl)-3-phenyl-2-thioxo-4-imidazolidinone
  • 4-imidazolidinone, 5-((3,4-dihydroxyphenyl)methyl)-3-phenyl-2-thioxo-, (s)-
  • phenylthiohydantoin-3,4-dihydroxyphenylalanine
  • pth-dopa
CAS Number(s)
  • 132828-63-8
InChIKey BOKLBORREWQWRR-LBPRGKRZSA-N
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