AG000GCD

115144-35-9 | 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, potassium salt (1:1), (4S)-

AG000GCD

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CAS Number	115144-35-9
Catalog Number	AG000GCD(AGN-PC-0P765S)
Chemical Name	4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, potassium salt (1:1), (4S)-
IUPAC Name	potassium;(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C11H8N2O3S2.K/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);/q;+1/p-1/t7-;/m1./s1
InChI Key	UMBKGTQQGYPQBE-OGFXRTJISA-M
MDL Number	MFCD00044928
Molecular Formula	C11H7KN2O3S2
Molecular Weight	318.4132
SMILES	[K+].OC1=CC2=C(N=C(S2)C=2SC[C@@H](N2)C(=O)[O-])C=C1
Synonyms	115144-35-9, D-Luciferin potassium salt, Potassium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate, D-Luciferin,potassium salt, D-Luciferin k Salt, L-8220, Firefly luciferin potassium salt, D-Luciferin potassium salt, 99%, AK-78637, D- Luciferin Potsossium salt, D-Luciferin (potassium salt), C11H7KN2O3S2, CTK8B6826, (S)-2-(6-Hydroxy-2-benzothiazolyl)-2-thiazoline-4-carboxylic acid potassium salt, 4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid potassium salt, BCP08298, EX-A1629, KS-000000RF, D-Luciferin Firefly, potassium salt, 2491AA, ANW-54533, CL-013, HY-12591B, MFCD00044928, TD8084, AKOS016001314, AC-8544, CS-7701, TC-143278, ST24048976, D-Luciferin potassium salt, >=98.0% (HPLC), C-49989, (S)-4,5-Dihydro-2-(6-hydroxybenzothiazol-2-yl)thiazole-4-carboxylic acid potassium salt, Potassium (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate, (D)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid, Firefly, potassium salt, 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-, potassium salt (1:1), (4S)-, ACN-S005308, CID5706750, D-Luciferin potassium salt, 98% - 100MG 100mg, (S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylicacid,potassiumsalt, Potassium (2Z,4R)-2-(6-oxobenzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylate,

Complexity	396
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	317.954g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	318.406g/mol
Monoisotopic Mass	317.954g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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