AG019WWH

74470-24-9 | 2-(methylsulfanyl)pyridine-4-carboxylic acid

AG019WWH

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CAS Number	74470-24-9
Catalog Number	AG019WWH(AGN-PC-0NK92O)
Chemical Name	2-(methylsulfanyl)pyridine-4-carboxylic acid
IUPAC Name	2-methylsulfanylpyridine-4-carboxylic acid
InChI	InChI=1S/C7H7NO2S/c1-11-6-4-5(7(9)10)2-3-8-6/h2-4H,1H3,(H,9,10)
InChI Key	KNSRPLWLSAKKIO-UHFFFAOYSA-N
MDL Number	MFCD00661390
Molecular Formula	C7H7NO2S
Molecular Weight	169.2010
SMILES	C(=O)(O)c1cc(SC)ncc1
Synonyms	2-(methylsulfanyl)pyridine-4-carboxylic acid, 74470-24-9, 2-(Methylthio)isonicotinic acid, AC1Q4H5B, SCHEMBL16431313, CTK7B5452, ZINC38063444, AKOS008142995, MCULE-2336228517, NE31555, NCGC00327693-01, 4-Pyridinecarboxylic acid, 2-(methylthio)-, EN300-53343, AB01005613-01, AB01005613-03, 2-(Methylthio)pyridine-4-carboxylic acid, AldrichCPR, 2-(Methylsulfanyl)isonicotinic acid,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.198g/mol
Monoisotopic Mass	169.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	75.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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