(2Z,4S)-2-(2-Hydroxy-4-Oxo-2,5-Cyclohexadien-1-Ylidene)-4-Methyl-1,3-Thiazolidine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C11H11NO4S
IUPAC Name (2z,4s)-2-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-4-methyl-thiazolidine-4-carboxylic acid
Molecular Mass 253.274 g·mol−1
Heat of Formation -536.8 ± 16.7 kJ·mol−1
Dipole Moment 10.48 ± 1.08 D
Volume 274.89 Å 3
Surface Area 252.05 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4s)-2-(2-hydroxy-4-keto-1-cyclohexa-2,5-dienylidene)-4-methyl-thiazolidine-4-carboxylic acid
  • (2z,4s)-2-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-4-methyl-1,3-thiazolidine-4-carboxylic acid
  • (2z,4s)-2-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-4-methyl-4-thiazolidinecarboxylic acid
  • (2z,4s)-2-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-4-methyl-thiazolidine-4-carboxylic acid
  • (s)-4'-(ho)-dadft
  • deferitrin
  • gt-56252
InChIKey GZCHLZTUKCAPAY-GXMKHXEJSA-N
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