AG001X4W

1671-08-5 | 4(3H)-Pyrimidinone, 5-methoxy-2-(methylthio)-

AG001X4W

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CAS Number	1671-08-5
Catalog Number	AG001X4W(AGN-PC-0O4QQM)
Chemical Name	4(3H)-Pyrimidinone, 5-methoxy-2-(methylthio)-
IUPAC Name	5-methoxy-2-methylsulfanyl-1H-pyrimidin-6-one
InChI	InChI=1S/C6H8N2O2S/c1-10-4-3-7-6(11-2)8-5(4)9/h3H,1-2H3,(H,7,8,9)
InChI Key	PCFMDDLVLHIRNK-UHFFFAOYSA-N
MDL Number	MFCD00184817
Molecular Formula	C6H8N2O2S
Molecular Weight	172.2049
NSC Number	9316
SMILES	COC1=C(O)N=C(SC)N=C1
Synonyms	1671-08-5, 5-methoxy-2-(methylthio)pyrimidin-4-ol, 5-Methoxy-2-(methylthio)pyrimidin-4(3H)-one, 5-methoxy-2-(methylsulfanyl)pyrimidin-4(3h)-one, 5-methoxy-2-(methylsulfanyl)-4-pyrimidinol, 5-Methoxy-2-methylthiopyrimidin-4(3H)-one, 4(3H)-Pyrimidinone,5-methoxy-2-(methylthio)-, NSC9316, AC1L5BZR, AC1Q6D2T, SCHEMBL170064, SCHEMBL11900387, CTK4D2548, DTXSID60278703, PCFMDDLVLHIRNK-UHFFFAOYSA-N, KS-00000DZ2, NSC-9316, ZINC4002982, ANW-71089, FCH840195, MFCD00184817, AKOS005088088, 3J-374S, MCULE-9211303972, RP23456, AJ-47631, AK104685, SY026578, 5-Methoxy-2-methylsulfanyl-pyrimidin-4-ol, 5-methoxy-2-(methylsulfanyl)pyrimidin-4-ol, AX8238893, TC-159834, CS-0045793, FT-0687952, Z2989, MFCD26935425 (95%), 2-(Methylthio)-5-methoxypyrimidine-4(3H)-one, 5-methoxy-2-(methylthio)pyrimidin-4-ol ,97%, 5-methoxy-2-methylsulfanyl-1H-pyrimidin-6-one, C-1182, 5-methoxy-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one, 2-methoxypyridin-4-amine, 4-Amino-2-methoxypyridine, C6H8N2O2S, AR-1G8667, CID222671, 4-BROMO-2-METHYLPHENYLBORONIC ACID, A4412, 5-Methoxy-2-(methylthio)pyrimidin-4-ol, 97% - 1G 1g, 5-Methoxy-2-(methylthio)pyrimidin-4-ol, 98% - 500MG 500mg, 20265-39-8,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.031g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.202g/mol
Monoisotopic Mass	172.031g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	76A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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