(2Z,4S)-2-(4-Methyl-6-Oxo-1,3-Benzothiazol-2(6H)-Ylidene)-1,3-Thiazolidine-4-Carboxylic Acid

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Formula C12H10N2O3S2
IUPAC Name (4s)-2-(4-methyl-6-oxo-1,3-benzothiazol-3-ium-2-yl)thiazolidin-2-ide-4-carboxylic acid
Molecular Mass 294.349 g·mol−1
Heat of Formation -214.2 ± 16.7 kJ·mol−1
Dipole Moment 9.22 ± 1.08 D
Volume 313.25 Å 3
Surface Area 284.8 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -2.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4s)-2-(4-methyl-6-oxo-1,3-benzothiazol-2-ylidene)-4-thiazolidinecarboxylic acid
  • (2z,4s)-2-(4-methyl-6-oxo-1,3-benzothiazol-2-ylidene)thiazolidine-4-carboxylic acid
  • (2z,4s)-2-(6-keto-4-methyl-1,3-benzothiazol-2-ylidene)thiazolidine-4-carboxylic acid
  • 4-methyl-d-luciferin
  • 4-methylluciferin
  • 4-thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-4-methyl-2-benzothiazolyl)-, (s)-
CAS Number(s)
  • 130593-26-9
InChIKey QTIWDPJDANFUKY-MHESWEFBSA-N
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