AG006ZQG

477251-98-2 | 5-(Methylthio)pyridine-3-boronic acid

AG006ZQG

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CAS Number	477251-98-2
Catalog Number	AG006ZQG(AGN-PC-03ON7T)
Chemical Name	5-(Methylthio)pyridine-3-boronic acid
IUPAC Name	(5-methylsulfanylpyridin-3-yl)boronic acid
InChI	InChI=1S/C6H8BNO2S/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
InChI Key	QNLQSEKMIZSQOG-UHFFFAOYSA-N
MDL Number	MFCD08689538
Molecular Formula	C6H8BNO2S
Molecular Weight	169.0092
SMILES	CSC1=CN=CC(=C1)B(O)O
Synonyms	477251-98-2, 5-(Methylthio)pyridine-3-boronic acid, (5-(Methylthio)pyridin-3-yl)boronic acid, [5-(METHYLSULFANYL)PYRIDIN-3-YL]BORONIC ACID, MFCD08689538, 5-(methylthio)pyridin-3-ylboronic acid, (5-methylsulfanyl-3-pyridyl)boronic acid, ACMC-209kaa, [5-(METHYLSULFANYL)PYRIDINE-3-YL]BORONIC ACID, SCHEMBL1866647, CTK4J0206, DTXSID00625393, QNLQSEKMIZSQOG-UHFFFAOYSA-N, ZX-AT000655, ANW-30560, FCH919668, OR3596, AKOS006222261, ZINC169745322, RTR-017545, [5-(methylthio)-3-pyridyl]boronic acid, 5-(methylthio)pyridin-3-yl boronic acid, ACM477251982, AN-28175, AS-48809, BC001500, [5-(methylthio)-3-pyridinyl]boronic acid, (5-methylsulfanylpyridin-3-yl)boronic acid, 5-(methylsulfanyl)pyridin-3-ylboronic acid, 5-METHYLTHIO-3-PYRIDINEBORONIC ACID, AX8101339, TR-017545, FT-0688813, ST24034788, X0828, B-2583, 251M982, Boronic acid,[5-(methylthio)-3-pyridinyl]- (9CI), C6H8BNO2S, 5- pyridine-3-boronicacid,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.037g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.005g/mol
Monoisotopic Mass	169.037g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.6A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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