Firefly luciferin
Properties
- Molecular formula
- C11H8N2O3S2
- Molar mass
- 280.32 g/mol
- Exact mass
- 279.9976 Da
- logP
- 1.95Crippen estimate
- Polar surface area
- 82.8 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation33.3% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2591-17-5SMILES
O=C(O)[C@H]1CSC(c2nc3ccc(O)cc3s2)=N1InChIKey
BJGNCJDXODQBOB-SSDOTTSWSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- 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)
- Luciferin
- D-(-)-Luciferin
- D-Luciferin
- (S)-Luciferin (firefly)
- Beetle luciferin
- BrightGlo
- (4S)-2-(6-Hydroxybenzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid
- BriteLite substrate
- (4S)-2-(6-Hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Work with Firefly luciferin
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Procysteine19771-63-238 % similar
2-Cyano-6-hydroxybenzothiazole939-69-537 % similar
N-Acetyl-DL-tyrosine2901-77-136 % similar
N-Acetyl-L-tyrosine537-55-336 % similar
Benzylmercapturic acid19542-77-936 % similar
N,S-Diacetylcysteine18725-37-636 % similar
N,N′-Diacetyl-L-cystine5545-17-533 % similar
N-(2-Chloroacetyl)-L-tyrosine1145-56-833 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.