AG001VJO

16097-62-4 | 4(3H)-Pyrimidinone, 2-(methylthio)-6-(trifluoromethyl)-

AG001VJO

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CAS Number	16097-62-4
Catalog Number	AG001VJO(AGN-PC-0JOKBW)
Chemical Name	4(3H)-Pyrimidinone, 2-(methylthio)-6-(trifluoromethyl)-
IUPAC Name	2-methylsulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
InChI	InChI=1S/C6H5F3N2OS/c1-13-5-10-3(6(7,8)9)2-4(12)11-5/h2H,1H3,(H,10,11,12)
InChI Key	BRLPDRZKOMZVOY-UHFFFAOYSA-N
MDL Number	MFCD00674594
Molecular Formula	C6H5F3N2OS
Molecular Weight	210.1769
NSC Number	64343
SMILES	OC1=NC(SC)=NC(C(F)(F)F)=C1
Synonyms	16097-62-4, 2-(methylthio)-6-(trifluoromethyl)pyrimidin-4-ol, 4-Hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine, 2-(Methylsulfanyl)-6-(trifluoromethyl)-4-pyrimidinol, MFCD00153191, 2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol, 2-methylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one, 4-HYDROXY-2-(METHYLTHIO)-6-(TRIFLUOROMETHYL)-PYRIMIDINE, NSC64343, methylsulfanyltrifluoromethylpyrimidinol, PubChem16996, AC1Q4IJV, AC1L6LM8, C6H5F3N2OS, SCHEMBL602201, CTK0I3837, CTK7B5355, KS-00001YAB, DTXSID60289798, BRLPDRZKOMZVOY-UHFFFAOYSA-N, NSC-64343, SBB094311, ZINC12336361, AKOS005070797, 6G-381S, MCULE-4039380217, RP12222, TRA-0177270, NCGC00331173-01, AC-27634, AJ-60809, SC-41411, TR-006844, 2-methylthio-4-trifluoromethyl-6-pyrimidinol, 2-methylthio-6-trifluoromethylpyrimidin-4-ol, FT-0676125, M2851, Z2596, 2-Methylthio-6-(trifluoromethyl)-4-pyrimidinol, 2-methylthio-6-(trifluoromethyl)pyrimidin-4-ol, C-1164, 2-Methylsulfanyl-6-trifluoromethylpyrimidin-4-ol, AB01324522-02, 2-methylsulfanyl-6-trifluoromethyl-pyrimidin-4-ol, 2-methylsulfanyl-6-trifluoromethylpyrimidin-4-one, 2-Methylthio-6-trifluoromethyl-3H-pyrimidin-4-one, I03-1274, J-506491, 2-(Methylthio)-6-(trifluoromethyl)pyrimidin-4(1H)-one, 6-(Trifluoromethyl)-4-hydroxy-2-(methylthio)pyrimidine, Z1037335534, 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4(1H)-one, 4(1H)-Pyrimidinone, 2-(methylthio)-6-(trifluoromethyl)-, 4-Hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine 97%, 4-Hydroxy-2-(methylthio)-6-(trifluoromethyl)pyrimidine, 97%, AR-1C9512, CID248062, 6-(Trifluoromethyl)-2-(methylthio)pyrimidin-4-ol, 75742-01-7,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.007g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.174g/mol
Monoisotopic Mass	210.007g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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