AG007ZA5

14161-09-2 | 2-(Methylsulfonyl)pyrimidine

AG007ZA5

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CAS Number	14161-09-2
Catalog Number	AG007ZA5(AGN-PC-00LVYW)
Chemical Name	2-(Methylsulfonyl)pyrimidine
IUPAC Name	2-methylsulfonylpyrimidine
InChI	InChI=1S/C5H6N2O2S/c1-10(8,9)5-6-3-2-4-7-5/h2-4H,1H3
InChI Key	OIGXNHYFKZCTCH-UHFFFAOYSA-N
MDL Number	MFCD06795939
Molecular Formula	C5H6N2O2S
Molecular Weight	158.1783
SMILES	CS(=O)(=O)C1=NC=CC=N1
Synonyms	2-(Methylsulfonyl)pyrimidine, 14161-09-2, 2-(Methylsulphonyl)pyrimidine, 2-Methylsulfonylpyrimidine, 2-methanesulfonylpyrimidine, 2-Methanesulfonyl-pyrimidine, 2-methylsulfonyl pyrimidine, W-205561, PubChem21988, 2-methylsulphonyl-pyrimidine, 2-(Methanesulfonyl)pyrimidine, Methyl pyrimidin-2-yl sulphone, SCHEMBL1118141, Pyrimidine,2-(methylsulfonyl)-, CTK4C2720, DTXSID70534908, OIGXNHYFKZCTCH-UHFFFAOYSA-N, KS-00002AG8, ZX-AT005906, ANW-74373, BBL100763, STL554557, ZINC36533507, AKOS005255317, FCH1414357, OR59838, PS-5563, RP08469, AJ-93208, AK-59289, AB0010336, AX8041279, TC-069216, FT-0679684, M-3051, A807784, I03-0658, InChI=1/C5H6N2O2S/c1-10(8,9)5-6-3-2-4-7-5/h2-4H,1H, C5H6N2O2S, Pyrimidine, 2-(methylsulfonyl)-,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.015g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.175g/mol
Monoisotopic Mass	158.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

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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