AG0033TU

98546-51-1 | 4-(Methylthio)Phenylboronic Acid

AG0033TU

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CAS Number	98546-51-1
Catalog Number	AG0033TU(AGN-PC-07HAG4)
Chemical Name	4-(Methylthio)Phenylboronic Acid
IUPAC Name	(4-methylsulfanylphenyl)boronic acid
InChI	InChI=1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChI Key	IVUHTLFKBDDICS-UHFFFAOYSA-N
MDL Number	MFCD00093410
Molecular Formula	C7H9BO2S
Molecular Weight	168.0212
SMILES	OB(O)c1ccc(cc1)SC
Synonyms	4-(Methylthio)phenylboronic acid, 98546-51-1, 4-Thioanisoleboronic acid, 4-methylthiophenylboronic acid, 4-(methylsulfanyl)phenylboronic acid, (4-(methylthio)phenyl)boronic acid, (4-methylsulfanylphenyl)boronic Acid, MFCD00093410, 4-(Methylthio)phenylboronicacid, 4-(Methylthio)benzeneboronic acid, 4-(methylthio)benzene boronic acid, [4-(methylsulfanyl)phenyl]boronic acid, Boronic acid, [4-(methylthio)phenyl]-, 4-(METHYLMERCAPTO)BENZENEBORONIC ACID, (4-(methylthio)phenyl]boronic acid, [4-(methylthio)phenyl]boronic acid, PubChem9544, Thioanisole-4-boronic acid, AC1MC01T, AC1Q4GY5, AMTB626, KSC486M6H, SCHEMBL184212, 4-methylthiophenyl-boronic acid, CHEMBL162340, 4-methylthio phenyl boronic acid, CTK3I6663, KS-00000ASC, DTXSID00370058, 4-(methyl-thio)phenylboronic acid, 4-(methylthio)phenyl boronic acid, IVUHTLFKBDDICS-UHFFFAOYSA-N, p -(Methylthio)phenylboronic acid, BM207, 4-(methylthio) benzeneboronic acid, 4-methylsulfanyl-phenylboronic acid, 4-methylsulfanylphenyl boronic acid, 4-methylsulphanyl-phenylboronic acid, ACT11282, CS-D1041, 4-methylsulfanyl phenyl boronic acid, 4-methylsulfanyl-phenyl boronic acid, [4-(methylsulfanyl)phenyl]boranediol, ANW-40940, CM-127, SBB052536, 4-(methylsulfanyl)phenyl-boronic acid, AKOS000279153, ZINC169743201, AB03347, AC-5369, AS-2624, LS10900, RP02541, RTC-069231, TRA0021582, VB10362, [4-(methylsulphanyl)phenyl]boronic acid, NCGC00249472-01, AK-48634, AN-11067, BP-12658, L577, SC-07506, SY026617, Boronic acid, B-[4-(methylthio)phenyl]-, AB0014782, AB1004692, DB-023165, ST2405451, TC-069231, TL8006045, AM20080730, FT-0084893, FT-0602404, M1458, MFCD00093410 (97%), 65024-EP2272817A1, 65024-EP2308812A2, 546M511, J-501323, 4-(methylthio)phenylboronic acid;4-Thioanisoleboronic acid, 4-(Methylthio)benzeneboronic acid; 4-Thioanisoleboronic acid, 4- phenylboronicacid, (3-Fluorophenyl)thiourea, C7H9BO2S, 4-(Methylthiophenyl)boronic acid, 4-methylthiophenyl boronic acid, ACN-029145, CID2733959, A11288, B-1287, 4-(Methylthio)phenylboronic acid, 98% - 1G 1g, 458-05-9,

Complexity	113
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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