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4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4S)- (2591-17-5)

Identification
Name:4-Thiazolecarboxylicacid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (4S)-
Synonyms:2-Thiazoline-4-carboxylicacid, 2-(6-hydroxy-2-benzothiazolyl)-, (-)- (8CI); 4-Thiazolecarboxylic acid,4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, (S)-;(4S)-2-(6-Hydroxybenzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid;(S)-Luciferin (firefly); Beetle luciferin; BrightGlo; D-(-)-Luciferin;D-Luciferin; Firefly luciferin; Luciferin; Luciferin (firefly)
CAS:2591-17-5
EINECS: 219-981-3
Molecular Formula: C11H8 N2 O3 S2
Molecular Weight: 280.32
InChI: InChI=1/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
Molecular Structure: (C11H8N2O3S2) 2-Thiazoline-4-carboxylicacid, 2-(6-hydroxy-2-benzothiazolyl)-, (-)- (8CI); 4-Thiazolecarboxylic aci...
Properties
Melting Point: 200-204 °C
Flash Point: 240.3°C
Boiling Point: 473.7°Cat760mmHg
Density:1.81g/cm3
Refractive index:1.865
Appearance:off-white to light yellow powder
Specification:

 Firefly luciferin , with CAS number of 2591-17-5, can be called (2Z,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)-1,3-thiazolidine-4-carboxylic acid ; 2-(6-oxo-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylic acid ; (4S)-2-(6-Hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid ; Luciferin . It is an off-white to light yellow powder. it should be stored in a tightly closed container under an inert atmosphere.

Flash Point: 240.3°C
Storage Temperature: −20°C
Safety Data
Hazard Symbols Xi: Irritant
 

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