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Substance Name: Firefly luciferin
RN: 2591-17-5
UNII: 5TBB02N29K
InChIKey: BJGNCJDXODQBOB-SSDOTTSWSA-N

Note

  • A benzothaizole which is oxidized by LUCIFERASES, FIREFLY to cause emission of light (LUMINESCENCE).

Molecular Formula

  • C11-H8-N2-O3-S2

Molecular Weight

  • 280.3272
 

Classification Codes

  • Indicators and Reagents
  • Luminescent Agents
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Names and Synonyms

Name of Substance

  • Firefly luciferin

MeSH Heading

  • Firefly luciferin

Synonyms

  • EINECS 219-981-3
  • Luciferin
  • UNII-5TBB02N29K

Systematic Names

  • (S)-4,5-Dihydro-2-(6-hydroxybenzothiazol-2-yl)thiazole-4-carboxylic acid
  • 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 2591-17-5

FDA UNII

  • 5TBB02N29K

System Generated Number

  • 0002591175

Structure Descriptors

InChI

1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1

InChIKey

BJGNCJDXODQBOB-SSDOTTSWSA-N

Smiles

OC(=O)[C@H]1CSC(=N1)c2nc3ccc(O)cc3s2

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.720 (none)   EST
Atmospheric OH Rate Constant 4.83E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.