AG003L29

33089-15-5 | 4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile

AG003L29

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CAS Number	33089-15-5
Catalog Number	AG003L29(AGN-PC-00KYH2)
Chemical Name	4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile
IUPAC Name	4-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
InChI	InChI=1S/C6H4ClN3S/c1-11-6-9-3-4(2-8)5(7)10-6/h3H,1H3
InChI Key	IGIRTCCCRNZFSQ-UHFFFAOYSA-N
MDL Number	MFCD00507261
Molecular Formula	C6H4ClN3S
Molecular Weight	185.6341
SMILES	S(C)c1nc(Cl)c(cn1)C#N
Synonyms	4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile, 33089-15-5, 4-chloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile, 4-chloro-2-(methylthio)-, 4-chloro-2-(methylthio)-5-pyrimidinecarbonitrile, 4-chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile, SCHEMBL440008, Jsp006089, CTK4G9926, DTXSID30518921, IGIRTCCCRNZFSQ-UHFFFAOYSA-N, MFCD00507261, ZINC38540918, AKOS006271682, CC-1693, CS-W019038, HP21374, QC-6710, RP24578, TRA0135913, 4-chloro-5-cyano-2-methylthiopyrimidine, AJ-96546, AK112498, AN-13269, AS-19215, CJ-19547, EN001452, HC210422, SC-25478, SY004148, AB0032260, AB1000048, RT-025031, 4CH-004080, FT-0686804, ST24028996, X5551, 4-Chloro-5-cvano-2-methylsulfanyl-pyrimidine, 4-Chloro-5-cyano-2-methylsulfanyl-pyrimidine, 2-methylthio-4-chloropyrimidine-5-carbonitrile, chloro-2-(methylthio)pyrimidine-5-carbonitrile, M-9692, MFCD00507261 (97+%), 4-chloro-2-(methylthio)-pyrimidine-5-carbonitrile, 4-chloro-2-methylsulfanylpyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile,4-chloro-2-(methylthio)-, A821613, I03-0391, J-514908, 4-chloranyl-2-methylsulfanyl-pyrimidine-5-carbonitrile, 4-chloro-2-(methylsulfanyl)-5-pyrimidinecarbonitrile, 4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile ,97%, null, C6H4ClN3S, ACN-050651, 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzodiazole, 4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile, 97% - 1G 1g, 1352796-63-4,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.981g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.629g/mol
Monoisotopic Mass	184.981g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	74.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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