Firefly Luciferin

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Properties Simple | Detailed

Formula C11H9N2O3S2
IUPAC Name (4s)-2-(6-oxo-1,3-benzothiazol-3-ium-2-yl)thiazolidin-2-ide-4-carboxylic acid
Molecular Mass 281.331 g·mol−1
Heat of Formation -167.8 ± 16.7 kJ·mol−1
Dipole Moment 8.55 ± 1.08 D
Volume 289.72 Å 3
Surface Area 268.21 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -1.85 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4s)-2-(6-keto-1,3-benzothiazol-2-ylidene)thiazolidine-4-carboxylic acid
  • (2e,4s)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylic acid
  • (2e,4s)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-4-thiazolidinecarboxylic acid
  • (2e,4s)-2-(6-oxo-1,3-benzothiazol-2-ylidene)thiazolidine-4-carboxylic acid
  • (4s)-2-(6-keto-1,3-benzothiazol-2-ylidene)thiazolidine-4-carboxylic acid
  • (4s)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-4-thiazolidinecarboxylic acid
  • (4s)-2-(6-oxo-1,3-benzothiazol-2-ylidene)thiazolidine-4-carboxylic acid
  • (s)-2-(6-hydroxy-2-benzothiazolyl)-2-thiazoline-4-carboxylic acid
  • 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid
  • 4-thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (s)-
  • d-luciferin
  • luciferin
InChIKey IWJYWBVPCGUPLO-KOUNZKNHSA-N
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