AG003479

50593-92-5 | 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid

AG003479

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CAS Number	50593-92-5
Catalog Number	AG003479(AGN-PC-0JPC8U)
Chemical Name	5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid
IUPAC Name	5-bromo-2-methylsulfanylpyrimidine-4-carboxylic acid
InChI	InChI=1S/C6H5BrN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
InChI Key	YJEWVVYJOJJLBP-UHFFFAOYSA-N
MDL Number	MFCD00238866
Molecular Formula	C6H5BrN2O2S
Molecular Weight	249.0851
NSC Number	157318
SMILES	O=C(O)c1nc(ncc1Br)SC
Synonyms	50593-92-5, 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid, 5-bromo-2-(methylsulfanyl)pyrimidine-4-carboxylic acid, 5-Bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid, 4-pyrimidinecarboxylic acid, 5-bromo-2-(methylthio)-, 5-Bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid, 5-Bromo-2-(methylthio)pyrimidine-4-carboxylicacid, 5-bromo-2-methylsulfanylpyrimidine-4-carboxylic acid, 5-Bromo-2-(Methylthio)Pyrimidine-4-Carboxylic Acid ,97%, MFCD00238866, NSC157318, PubChem13048, AC1L6GMP, Maybridge4_003348, C6H5BrN2O2S, ACMC-209ko3, AC1Q4H9H, KSC271M7H, SCHEMBL1325225, CTK1H1673, ZINC81138, DTXSID80303203, YJEWVVYJOJJLBP-UHFFFAOYSA-N, HMS1530I04, ACN-S004098, ACT08213, ZERO/008330, ANW-31057, CL1907, SBB014112, STK689772, WT1328, AKOS000320063, AC-2916, AN-2939, CB-1322, CS-W002580, MCULE-6559168240, NSC-157318, PB32203, QC-8254, RP06088, RTX-010950, TRA0160084, VP50269, WT82141, KS-000000G1, NCGC00175942-01, AJ-10543, AK-23806, BC003716, BR-23806, EN002111, HC210263, SC-27228, SY003334, 2-Methylthio-5-brompyrimidin-4-carbonsaure, AB0006648, AB1001587, DB-014549, ST2411766, ST4133959, AM20100240, B3829, FT-0648896, MFCD00238866 (97%), B67508, M-1610, 3W-0283, 5-bromo-2-(methylthio)pyrimidine4-carboxylic acid, 593B925, A828195, 2-(Methylthio)-5-bromopyrimidine-4-carboxylic acid, 5-bromo-2-(methylthio)-4-pyrimidinecarboxylic acid, I03-0150, J-516847, 4-Pyrimidinecarboxylicacid, 5-bromo-2-(methylthio)-, 5-Bromo-2-(methylthio)-pyrimidine-4-carboxylic acid, 5-bromanyl-2-methylsulfanyl-pyrimidine-4-carboxylic acid, 5-Bromo-2-(methylsulfanyl)-4-pyrimidine-carboxylic acid, 5-Bromo-2-(methylsulphanyl)pyrimidine-4-carboxylic acid, Z1741971882, 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid, 97%, 50593-92-5 5-bromo-2-(methylthio)pyrimidine-4-carboxylic acid, null, AR-1G4551, CID291786, 5-Bromo-2- pyrimidine-4-carboxylicacid, 2-Thiomethylpyrimidine-4-carboxylic acid, 2-(methylthio)pyrimidine-4-carboxylic acid, 2-Methylsulfanylpyrimidine-4-carboxylic acid, 5-bromo-2-methylthiopyrimidine-4-carboxylic acid, 2-(METHYLTHIO)-4-PYRIMIDINECARBOXYLIC ACID, 2-METHYLSULFANYLPYRIMIDIN-4-CARBOXYLIC ACID, 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid, 97% - 1G 1g, 50971-34-1,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.926g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.082g/mol
Monoisotopic Mass	247.926g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	88.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number