AG005SHR

74840-34-9 | 4-CHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID

AG005SHR

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CAS Number	74840-34-9
Catalog Number	AG005SHR(AGN-PC-00O94N)
Chemical Name	4-CHLORO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID
IUPAC Name	4-chloro-2-methylsulfanylpyrimidine-5-carboxylic acid
InChI	InChI=1S/C6H5ClN2O2S/c1-12-6-8-2-3(5(10)11)4(7)9-6/h2H,1H3,(H,10,11)
InChI Key	MYNMNRVNVCHWIT-UHFFFAOYSA-N
MDL Number	MFCD06643376
Molecular Formula	C6H5ClN2O2S
Molecular Weight	204.6341
SMILES	O=C(C1=CN=C(SC)N=C1Cl)O
Synonyms	4-chloro-2-(methylthio)pyrimidine-5-carboxylic acid, 74840-34-9, AK-50918, 4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylic acid, 4-chloro-2-methylthiopyrimidine-5-carboxylic acid, SCHEMBL2226205, CTK5E0574, KS-00000HZN, DTXSID60551301, 1630AC, ANW-52742, CC-097, MFCD06643376, SBB076294, ZINC16739539, AKOS002235088, FCH1378660, GS-5697, HP23017, MCULE-6220918921, AJ-69552, AX8162575, TC-061886, AM20100725, CS-0045703, FT-0702630, ST24028997, ST50109399, I03-0460, 5-Pyrimidinecarboxylic acid, 4-chloro-2-(methylthio)-, C6H5ClN2O2S, A15787,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.976g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.628g/mol
Monoisotopic Mass	203.976g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	88.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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