AG003F3P

74470-23-8 | 2-Methylthio-3-pyridinecarboxylic acid

AG003F3P

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CAS Number	74470-23-8
Catalog Number	AG003F3P(AGN-PC-0JNXA3)
Chemical Name	2-Methylthio-3-pyridinecarboxylic acid
IUPAC Name	2-methylsulfanylpyridine-3-carboxylic acid
InChI	InChI=1S/C7H7NO2S/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10)
InChI Key	COPSJQVPEUUOKY-UHFFFAOYSA-N
MDL Number	MFCD00010101
Molecular Formula	C7H7NO2S
Molecular Weight	169.2010
NSC Number	95872
SMILES	O=C(C1=CC=CN=C1SC)O
Synonyms	2-(Methylthio)nicotinic acid, 74470-23-8, 2-(methylsulfanyl)nicotinic acid, 2-(Methylthio)pyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 2-(methylthio)-, 2-(methylsulfanyl)pyridine-3-carboxylic acid, 2-Methylthio-3-pyridinecarboxylic acid, 2-(Methylmercapto)nicotinic acid, COPSJQVPEUUOKY-UHFFFAOYSA-N, MFCD00010101, 2-methylthiopyridine-3-carboxylic acid, NSC95872, ACMC-20aomm, Maybridge1_001445, methylmercaptonicotinic acid, AC1Q5UB8, 2-methylmercaptonicotinic acid, SCHEMBL355357, 2-methylsulfanyl-nicotinic acid, AC1L67F6, CTK2H7264, HMS545J15, ZINC91633, DTXSID50294336, ALBB-021279, BBL001787, NSC-95872, SBB003868, STK506843, AKOS000120167, MCULE-6789292284, RP02601, 2-(methylthio)-3-pyridinecarboxylic acid, AJ-10865, AS-44251, BP-12490, 2-methylsulfanylpyridine-3-carboxylic acid, 3-Pyridinecarboxylicacid, 2-(methylthio)-, DB-019518, RT-001727, 2-(Methylmercapto)pyridine-3-carboxylic acid, CS-0063888, FT-0608838, H2925, ST50307535, Y9981, 2-(Methylthio)pyridine-3-carboxylic acid, 98%, AB00987531-01, AJ-333/25022068, I02-5849, J-506497, F2168-0005, 2- NICOTINICACID, C7H7NO2S, AR-1C9490, CID262400, 75220-48-3,

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
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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