Firefly luciferin

CAS Registry Number®

2591-17-5
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CAS Name

Firefly luciferin

Molecular Formula

C11H8N2O3S2

Molecular Mass

280.32

Cite this Page

Firefly luciferin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2591-17-5 (retrieved 2024-04-18) (CAS RN: 2591-17-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=BJGNCJDXODQBOB-SSDOTTSWSA-N

SMILES

C(O)(=O)[C@@H]1N=C(C=2SC=3C(N2)=CC=C(O)C3)SC1

Canonical SMILES

O=C(O)C1N=C(SC1)C2=NC=3C=CC(O)=CC3S2

Other Names for this Substance

  • 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4S)-
  • 2-Thiazoline-4-carboxylic acid, 2-(6-hydroxy-2-benzothiazolyl)-, (-)-
  • 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (S)-
  • (4S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid
  • Luciferin (firefly)

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Deleted or Replaced CAS Registry Numbers

32810-27-8

CAS INSIGHTSTM
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