Sodium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate

Base Information

• Chemical Name: Sodium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate
• CAS No.: 103404-75-7
• Molecular Formula: C11H7N2NaO3S2
• Molecular Weight: 302.30
• Hs Code.: 29349990
• European Community (EC) Number: 600-430-4
• Mol file: 103404-75-7.mol

Synonyms:103404-75-7;D-Luciferin sodium salt;Sodium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate;D-Luciferin Sodium;D-Luciferin (sodium);D-Luciferin sodium salt monohydrate;C11H7N2NaO3S2;(4S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid sodium salt;MFCD00044938;sodium (S,E)-2-(6-oxobenzo[d]thiazol-2(6H)-ylidene)thiazolidine-4-carboxylate;D-Luciferin, Sodium Salt;D-Luciferin,sodium salt;D-luciferin sodium hydrate;D-Luciferin (sodium salt);4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid sodium salt;BCP08294;D-Luciferin, sodium salt monohydrate;HB5119;TD8083;AKOS016007497;AKOS024318867;AC-8543;CS-4986;(S)-2-(6-Hydroxy-2-benzothiazolyl)-2-thiazoline-4-carboxylic acid sodium salt;AS-73543;HY-12591;S6924;A853800;D-Luciferin sodium salt, lyophilized powder, synthetic;D-(-)-Luciferin sodium salt;Firefly luciferin sodium salt;sodium (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate;sodium;(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate

Chemical Property of Sodium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate

Chemical Property:

• Appearance/Colour: Yellow powder
• Vapor Pressure: 2.78E-10mmHg at 25°C
• Boiling Point: 473.7°C at 760 mmHg
• Flash Point: 240.3°C
• PSA: 139.15000
• LogP: 0.04940
• Storage Temp.: −20°C
• Solubility.: H2O: soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 301.97957872
• Heavy Atom Count: 19
• Complexity: 396

Purity/Quality:

98%, ^*data from raw suppliers

(4S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylicAcidMonosodiumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)[O-].[Na+]
• Isomeric SMILES: C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)[O-].[Na+]
• Description: D-Luciferin is a chemiluminescent substrate of firefly luciferase. It produces light upon oxidative decarboxylation by luciferase in the presence of ATP. D-luciferin can be employed to assay the expression of the luciferase gene linked to a promoter of interest. Alternatively, D-luciferin and luciferase can be used to assess ATP availability in cellular or biochemical assays.
• Uses: D-Luciferin sodium salt is substrate for firefly luciferase, properties and use in assays of ATP and luciferase. Luciferin is used for luciferase assays and determination of ATP. D-Luciferin sodium salt has been used as a substrate in luciferin?luciferase chemiluminescence assay to determine ATP levels.