AG001Y74

168618-42-6 | Boronic acid, B-[2-(methylthio)phenyl]-

AG001Y74

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CAS Number	168618-42-6
Catalog Number	AG001Y74(AGN-PC-07HAG6)
Chemical Name	Boronic acid, B-[2-(methylthio)phenyl]-
IUPAC Name	(2-methylsulfanylphenyl)boronic acid
InChI	InChI=1S/C7H9BO2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
InChI Key	QXBWTYBCNFKURT-UHFFFAOYSA-N
MDL Number	MFCD01318165
Molecular Formula	C7H9BO2S
Molecular Weight	168.0212
SMILES	CSC1=C(C=CC=C1)B(O)O
Synonyms	2-(Methylthio)phenylboronic acid, 168618-42-6, 2-Methylthiophenylboronic acid, (2-(Methylthio)phenyl)boronic acid, 2-(Methylthio)benzeneboronic Acid, (2-methylsulfanylphenyl)boronic Acid, [2-(methylsulfanyl)phenyl]boronic acid, 2-THIOANISOLEBORONIC ACID, MFCD01318165, (2-methylthiophenyl)boronic acid, 2-(methylthio)benzene boronic acid, [2-(methylsulfanyl)phenyl]boranediol, O-(METHYLTHIO)PHENYLBORONIC ACID, BORONIC ACID, [2-(METHYLTHIO)PHENYL]-, [2-(methylthio)phenyl]boronic acid, 2-(Methylthio)phenylboronic acid, 97%, (2-Methylthio)phenylboronic acid, PubChem7887, AC1MCN3R, 2-Thioanisole Phenylborate, AC1Q4GW3, SCHEMBL24389, 2-methylthiobenzeneboronic acid, 2-methylthiophenyl boronic acid, CHEMBL352894, 2-methylthiophenyldihydroxyborane, Jsp003412, 2-(Methylthio)phenylboranic acid, CTK3I9578, QXBWTYBCNFKURT-UHFFFAOYSA-, 2-methylthiophenyl-dihydroxyborane, DTXSID30378542, 2-(methylthio) phenylboronic acid, 2-(methylthio)-phenylboronic acid, 2-(methylthio)phenyl-boronic acid, 2-Methylsulfanylphenylboronic acid, QXBWTYBCNFKURT-UHFFFAOYSA-N, BM209, ACT11091, CS-D1039, KS-00000F9U, 2-(methylsulfanyl)phenylboronic acid, 2-methylmercapto phenyl boronic acid, 2-(methylsulfanyl)benzeneboronic acid, ANW-46649, BBL100654, CM-126, SBB052543, STL554448, VT1354, AKOS005255174, ZINC169743387, AB08660, AC-5351, DS-1797, LS00116, MCULE-9344913922, RP09127, TRA0036223, VB10353, (2-methylsulphanyl-phenyl)-boronic acid, AK-47931, AN-11049, SC-62251, SY014952, Boronic acid, B-[2-(methylthio)phenyl]-, AB0010810, AB1005699, DB-005791, TC-135394, TL8001305, FT-0601056, M1570, ST24026119, MFCD01318165 (98%), B-2317, 618M426, I01-3274, J-506499, J-510906, 2-(Methylthio)phenylboronic acid; 2-Thioanisoleboronic acid, InChI=1/C7H9BO2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3, 168818-42-6, C7H9BO2S, 3-(Meththio)phenylboronic acid, ACN-032715, CID2773543, 2-Methyl-1H-imidazole-4-carboxylic acid, 2-Methylthiophenylboronic acid, 98% - 1G 1g, A16016, 128312-11-8,

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.042g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.017g/mol
Monoisotopic Mass	168.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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