AG000XYI

128312-11-8 | 3-Methylthiophenylboronic acid

AG000XYI

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CAS Number	128312-11-8
Catalog Number	AG000XYI(AGN-PC-07HAG5)
Chemical Name	3-Methylthiophenylboronic acid
IUPAC Name	(3-methylsulfanylphenyl)boronic acid
InChI	InChI=1S/C7H9BO2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChI Key	TYVPOLHSKGEXIH-UHFFFAOYSA-N
MDL Number	MFCD01319105
Molecular Formula	C7H9BO2S
Molecular Weight	168.0212
SMILES	CSC1=CC=CC(=C1)B(O)O
Synonyms	3-(Methylthio)phenylboronic acid, 128312-11-8, (3-(Methylthio)phenyl)boronic acid, 3-(Meththio)phenylboronic acid, 3-METHYLTHIOPHENYLBORONIC ACID, 3-(Methylthio)benzeneboronic Acid, 3-methylthiobenzeneboronic acid, 4-(Methylthiophenyl)boronic acid, 3-(Methylthio)phenyl-boronic acid, 3-(methylsulfanyl)phenylboronic acid, MFCD01319105, 3-BORONOTHIOANISOLE, 3-(Methylthio)phenylboronicacid, (3-methylthiophenyl)boronic acid, Boronic acid, [3-(methylthio)phenyl]-, [3-(methylthio)phenyl]boronic acid, (3-methylsulfanylphenyl)boronic Acid, PubChem1789, ACMC-1CDY5, AC1MC10F, AC1Q4GX1, KSC489K7T, SCHEMBL133330, 3-methylthiophenyl boronic acid, Jsp001761, (3-thiomethylphenyl)boronic acid, 3-THIOANISOLEBORONIC ACID, CTK3I9579, KS-00000WQV, DTXSID20370272, 3-(methylthio)-phenylboronic acid, TYVPOLHSKGEXIH-UHFFFAOYSA-N, CS-D1040, [3-(methylsulfanyl)phenyl]boranediol, ANW-19061, CM-154, 3-(methylsulfanyl)phenyl-boronic acid, AKOS005255182, ZINC169747055, [3-(methylsulfanyl)phenyl]boronic acid, AB08890, AC-5359, LS10849, M4640G1, RP09126, RTC-069230, VB10354, 3-(Methylthio)phenylboronic acid, 95%, M-(METHYLTHIO)PHENYLBORONIC ACID, TRA-0176659, Boronic acid,B-[3-(methylthio)phenyl]-, AM803136, AS-11817, BC000856, SC-65226, Boronic acid, B-[3-(methylthio)phenyl]-, AB0010809, AB1004668, DB-010494, TC-069230, TL8000692, FT-0084854, FT-0613802, M1793, ST24034278, B-2273, 312M118, I01-3087, 3-Thioanisoleboronic acid; 3-(Methylthio)benzeneboronic acid, C7H9BO2S, (3-(Methylthio)phenyl)boronicacid, ACN-032729, CID2734383, 3-(Methylthio)benzeneboronic acid, 97% 250mg, 3-(Methylthio)phenylboronic acid, 97% - 1G 1g, 3-(Methylthio)phenylboronic acid, 97% - 250MG 250mg, 98546-51-1, 168618-42-6, 3-(Methylthio)phenylboronic acid (contains varying amounts of anhydride), N/A,

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
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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