AG003KJ4

313339-35-4 | 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid

AG003KJ4

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CAS Number	313339-35-4
Catalog Number	AG003KJ4(AGN-PC-03JPB9)
Chemical Name	4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid
IUPAC Name	4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylic acid
InChI	InChI=1S/C6H4Cl2N2O2S/c1-13-6-9-3(7)2(5(11)12)4(8)10-6/h1H3,(H,11,12)
InChI Key	LUCAXEBLTQAMHS-UHFFFAOYSA-N
MDL Number	MFCD06208699
Molecular Formula	C6H4Cl2N2O2S
Molecular Weight	239.0792
SMILES	O=C(C1=C(Cl)N=C(SC)N=C1Cl)O
Synonyms	4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid, 313339-35-4, 4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylic acid, AK-25754, 4,6-dichloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid, 4,6-dichloro-2-methylsulfanylpyrimidine-5-carboxylic acid, 5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-(methylthio)-, ACMC-209y8t, C6H4Cl2N2O2S, KSC222E3B, SCHEMBL282501, CTK1C2230, KS-00000CRT, DTXSID40622068, LUCAXEBLTQAMHS-UHFFFAOYSA-N, ACT04093, ANW-48651, MFCD06208699, ZINC38339237, AKOS015920309, AB23271, AC-5222, AN-3818, CD-1681, CS-W003273, FCH1326831, QC-9672, TRA0081202, AJ-95137, BR-25754, DS-10557, SY017623, AB0024133, AX8033162, DB-030966, ST2410904, TX-011982, 4CH-013440, FT-0696336, W5336, 4,6-dichloro-5-carboxy-2-methylthiopyrimidine, S-6861, MFCD06208699 (97+%), C-58447, 2-(Methylthio)-4,6-dichloropyrimidine-5-carboxylic acid, 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylicAcid, 5-Pyrimidinecarboxylicacid, 4,6-dichloro-2-(methylthio)-, 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylic acid, 97%, 4,6-DICHLORO-2- PYRIMIDINE-5-CARBOXYLICACID,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.937g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	239.07g/mol
Monoisotopic Mass	237.937g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	88.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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

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