Methyl (2Z,4R)-2-(6-Oxo-2,4-Cyclohexadien-1-Ylidene)-1,3-Thiazolidine-4-Carboxylate

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Properties Simple | Detailed

Formula C11H11NO3S
IUPAC Name methyl (2z,4r)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)thiazolidine-4-carboxylate
Molecular Mass 237.275 g·mol−1
Heat of Formation -313.9 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 258.49 Å 3
Surface Area 245.38 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4r)-2-(6-keto-1-cyclohexa-2,4-dienylidene)thiazolidine-4-carboxylic acid methyl ester
  • (2z,4r)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-thiazolidinecarboxylic acid methyl ester
  • 4-thiazolecarboxylic acid, 4,5-dihydro-2-(2-hydroxyphenyl)-, methyl ester, (r)-
  • methyl (2z,4r)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,3-thiazolidine-4-carboxylate
  • methyl (2z,4r)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)thiazolidine-4-carboxylate
  • methyl-(2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylate)
  • mhptca
CAS Number(s)
  • 115921-07-8
InChIKey IMRUHJUSLSHLHU-LRUQUBRESA-N
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