AG0015S3

1217501-38-6 | 2-Ethylthiopyridine-5-boronic acid

AG0015S3

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CAS Number	1217501-38-6
Catalog Number	AG0015S3(AGN-PC-09PYY3)
Chemical Name	2-Ethylthiopyridine-5-boronic acid
IUPAC Name	(6-ethylsulfanylpyridin-3-yl)boronic acid
InChI	InChI=1S/C7H10BNO2S/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3
InChI Key	HWWOZVPKBACUKO-UHFFFAOYSA-N
MDL Number	MFCD13195658
Molecular Formula	C7H10BNO2S
Molecular Weight	183.0358
SMILES	CCSC1=CC=C(B(O)O)C=N1
Synonyms	(6-(Ethylthio)pyridin-3-yl)boronic acid, 1217501-38-6, Boronic acid, B-[6-(ethylthio)-3-pyridinyl]-, SCHEMBL850656, ANW-60406, FCH924080, MFCD13195658, 6-(ethylthio)pyridine-3-boronic acid, AKOS006336185, ZINC169934030, OR360486, AX8232724, TC-149151, CS-0088362, X1685, A-5570, 2-Ethylthiopyridine-5-boronic acid, C7H10BNO2S, (6-(Ethylthio)pyridin-3-yl)boronicacid,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	183.032g/mol
Monoisotopic Mass	183.053g/mol
Rotatable Bond Count	3
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	H317-H319
Packing Group
Precautionary statements	P305+P351+P338-P280
UN Code

Certificate of Analysis

Lot Number