AG002ET0

190788-58-0 | 4-Methylthiophenylboronic acid, pinacol ester

AG002ET0

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CAS Number	190788-58-0
Catalog Number	AG002ET0(AGN-PC-01LR28)
Chemical Name	4-Methylthiophenylboronic acid, pinacol ester
IUPAC Name	4,4,5,5-tetramethyl-2-(4-methylsulfanylphenyl)-1,3,2-dioxaborolane
InChI	InChI=1S/C13H19BO2S/c1-12(2)13(3,4)16-14(15-12)10-6-8-11(17-5)9-7-10/h6-9H,1-5H3
InChI Key	QECMXXYJBBIFRJ-UHFFFAOYSA-N
MDL Number	MFCD05155222
Molecular Formula	C13H19BO2S
Molecular Weight	250.1648
SMILES	CSC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1
Synonyms	190788-58-0, 4,4,5,5-Tetramethyl-2-(4-(methylthio)phenyl)-1,3,2-dioxaborolane, 4-(METHYLTHIO)PHENYLBORONIC ACID PINACOLATE, 4-Methylthiophenylboronic acid, pinacol ester, 4-(Methylthio)phenylboronic acid pinacol ester, 4-THIOANISOLEBORONIC ACID, PINACOL ESTER, 4,4,5,5-tetramethyl-2-[4-(methylsulfanyl)phenyl]-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(methylthio)phenyl]-1,3,2-dioxaborolane, 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-[4-(METHYLTHIO)PHENYL]-, AMTB631, SCHEMBL12538851, CTK8B3568, DTXSID60590412, BM202, KS-000022ER, ANW-42747, MFCD05155222, AKOS015960122, ZINC169794282, 4-Thioanisoleboronic acid pinacol ester, AB21553, AS-2629, RTR-008849, VB10653, 4 - Thioanisoleboronic acid pinacol ester, AK105338, 4-Methylthiophenylboronic acid pinacol ester, 4-methylthiophenylboronic acid,pinacol ester, DB-016041, TR-008849, FT-0643800, X0595, A-9071, A813442, J-012326, 4-Thioanisoleboronic acid, pinacol ester, AldrichCPR, 4-(methylthio)phenylboronic acid pinacolate, AldrichCPR, 2-[4-(Methylthio)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(methylthio)phenyl]-, 4,4,5,5-Tetramethyl-2-(4-methylsulfanyl-phenyl)-[1,3,2]dioxaborolane, 4,4,5,5-tetramethyl-2-(4-methylsulfanylphenyl)-1,3,2-dioxaborolane, methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylsulfide,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.12g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.163g/mol
Monoisotopic Mass	250.12g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H413
Packing Group
Precautionary statements	P264-P270-P273-P301+P312-P330
UN Code

Certificate of Analysis

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