AG00381R

103404-75-7 | Sodium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate

AG00381R

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CAS Number	103404-75-7
Catalog Number	AG00381R(AGN-PC-0OSDER)
Chemical Name	Sodium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate
EC Number	600-430-4
IUPAC Name	sodium;(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
InChI	InChI=1S/C11H8N2O3S2.Na/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	LILQLBIQROYWIA-OGFXRTJISA-M
MDL Number	MFCD11865368
Molecular Formula	C11H7N2NaO3S2
Molecular Weight	302.3047
SMILES	OC1=CC2=C(N=C(S2)C=2SC[C@@H](N2)C(=O)[O-])C=C1.[Na+]
Synonyms	D-Luciferin sodium salt, 103404-75-7, Sodium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate, D-Luciferin (sodium salt), D-Luciferin sodium salt monohydrate, D-Luciferin Sodium, D-Luciferin sodium salt, 99%, MFCD00044938, AC1NWBLL, D-luciferin sodium hydrate, D-Luciferin, Sodium Salt, Firefly luciferin sodium salt, CTK8C4299, BCP08294, ANW-71529, TD8083, AKOS016007497, AKOS024318867, AC-8543, CS-4986, RL00166, 4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid sodium salt, KS-00000Y85, HY-12591, RT-004908, ST24049183, ST50405791, D-Luciferin sodium salt, lyophilized powder, synthetic, (4S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid sodium salt, (S)-2-(6-Hydroxy-2-benzothiazolyl)-2-thiazoline-4-carboxylic acid sodium salt, sodium (2E,4S)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylate, DLuciferin-S-salt, D-Luciferin, sodium, D(-)-Luciferin sodium salt, LUCIFERIN, SODIUM SALT 100MG, ACN-051842, CID5702588, D(-)-Luciferin sodium salt monohydrate, D-Luciferin sodium salt, 98% - 100MG 100mg, Sodium (2E,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	301.98g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	302.298g/mol
Monoisotopic Mass	301.98g/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
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number