AG003MPF

33097-13-1 | 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile

AG003MPF

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CAS Number	33097-13-1
Catalog Number	AG003MPF(AGN-PC-0L7499)
Chemical Name	4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile
IUPAC Name	4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonitrile
InChI	InChI=1S/C6H3Cl2N3S/c1-12-6-10-4(7)3(2-9)5(8)11-6/h1H3
InChI Key	GLOOTGZVAHKTJS-UHFFFAOYSA-N
MDL Number	MFCD00474490
Molecular Formula	C6H3Cl2N3S
Molecular Weight	220.0791
SMILES	CSC1=NC(Cl)=C(C#N)C(Cl)=N1
Synonyms	33097-13-1, 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile, 5-Cyano-4,6-dichloro-2-(methylthio)pyrimidine, 4,6-dichloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile, AK-31828, 4,6-dichloro-2-methylthiopyrimidine-5-carbonitrile, 4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonitrile, 4,6-dichloro-2-methylsulfanyl-pyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile, 4,6-dichloro-2-(methylthio)-, ACMC-1CMEV, AC1N5SDQ, SCHEMBL2132489, Jsp006091, AMMD00006, CTK4G9945, KS-00000EDE, DTXSID80400786, GLOOTGZVAHKTJS-UHFFFAOYSA-N, BCP11289, ZINC2566333, ZX-AT010922, ANW-27544, BBL100296, MFCD00474490, RW1273, RW3236, SBB055916, STL553875, AKOS007930905, CM11050, CS-W020507, FCH1322305, GS-6555, HP21382, MB01264, OR29981, QC-1815, TRA0056453, ACM33097131, AJ-41270, AM803707, AN-13204, BR-31828, CJ-09752, HC210436, SC-27532, SY004232, AB0060108, AB1000064, AX8092765, DB-006593, ST2410903, TC-061603, 4CH-001589, FT-0080953, FT-0649935, W5480, S-4591, MFCD00474490 (97+%), I03-0698, J-019023, 2-(Methylthio)-4,6-dichloropyrimidine-5-carbonitrile, 4,6-dichloro-2-methylsulfamylpyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile,4,6-dichloro-2-(methylthio)-, 4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonitrile, 97%, 4,6-DICHLORO-2-(METHYLTHIO)-5-PYRIMIDINECARBONITRILE, null, C6H3Cl2N3S, ZINC02566333, 2,5,6-Triaminopyrimidin-4(3H)-one, ACN-052508, CID4201620, 1004-75-7,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.942g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.071g/mol
Monoisotopic Mass	218.942g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	74.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(6.1)
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2923

Certificate of Analysis

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