AG005VUW

940284-18-4 | 2-(METHYLTHIO)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER

AG005VUW

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CAS Number	940284-18-4
Catalog Number	AG005VUW(AGN-PC-00YV26)
Chemical Name	2-(METHYLTHIO)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER
IUPAC Name	2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
InChI	InChI=1S/C11H17BN2O2S/c1-10(2)11(3,4)16-12(15-10)8-6-13-9(17-5)14-7-8/h6-7H,1-5H3
InChI Key	AFKIHRZPPIRQCI-UHFFFAOYSA-N
MDL Number	MFCD07781247
Molecular Formula	C11H17BN2O2S
Molecular Weight	252.1409
SMILES	CC1(C)C(C)(C)OB(C2=CN=C(SC)N=C2)O1
Synonyms	940284-18-4, 2-(Methylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine, 2-(Methylthio)pyrimidine-5-boronic acid pinacol ester, 2-(Methylthio)pyrimidinyl-5-boronic acid pinacol ester, SCHEMBL2538683, CTK8B3574, DTXSID00585963, AFKIHRZPPIRQCI-UHFFFAOYSA-N, ZXBA000685, CS-D0120, ANW-42753, MFCD07781247, 2-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine, AKOS015960268, ZINC169835887, AB42660, AM81222, FCH2816044, QC-3643, RTR-029389, AK-94808, OR361492, SC-51611, AX8224975, TR-029389, B-4830, 2-(MEthylthio)Pyrimidine-5-Boronic acid pinacol es, 2-(Methylthio)pyrimidinyl-5-boronic acid pinacol ester, 95%, (2-(METHYLTHIO)PYRIMIDIN-5-YL)BORONIC ACID PINACOL ESTER, 2-(Methylsulfanyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine, 2-(methylthio)-5-(4, 4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine, Pyrimidine, 2-(methylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 2-(Methylthio)pyrimidine-5-boronic acid, pinacol ester, Pyrimidine,2-(methylthio)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.11g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	252.139g/mol
Monoisotopic Mass	252.11g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	69.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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