AG003HID

38521-46-9 | 2-Mercaptonicotinic acid

AG003HID

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CAS Number	38521-46-9
Catalog Number	AG003HID(AGN-PC-0JUR3F)
Chemical Name	2-Mercaptonicotinic acid
IUPAC Name	2-sulfanylidene-1H-pyridine-3-carboxylic acid
InChI	InChI=1S/C6H5NO2S/c8-6(9)4-2-1-3-7-5(4)10/h1-3H,(H,7,10)(H,8,9)
InChI Key	WYKHFQKONWMWQM-UHFFFAOYSA-N
MDL Number	MFCD00010102
Molecular Formula	C6H5NO2S
Molecular Weight	155.1744
SMILES	C(=O)(O)c1c(=S)[nH]ccc1
UNII	EU7D859ABZ
Synonyms	2-mercaptonicotinic acid, 2-Mercaptonicotinic acid, 38521-46-9, 2-Mercaptopyridine-3-carboxylic acid, 2-sulfanylpyridine-3-carboxylic acid, 2-Mercapto-nicotinic acid, UNII-EU7D859ABZ, 3-Pyridinecarboxylic acid, 1,2-dihydro-2-thioxo-, 2-sulfanylnicotinic acid, 2-sulfanylidene-1H-pyridine-3-carboxylic acid, 1,2-dihydro-2-thioxopyridine-3-carboxylic acid, EU7D859ABZ, 2-Mercapto-3-pyridinecarboxylic Acid, MFCD00010102, 2-thioxo-1H-pyridine-3-carboxylic acid, 2-thioxo-1,2-dihydropyridine-3-carboxylic acid, 2-Mercaptonicotinicacid, Mnt-H, 2-Thionicotinic Acid, AC1LDRML, PubChem21289, ACMC-1AEVG, Maybridge4_003766, AC1Q73PF, KSC889Q5P, MLS000779168, SCHEMBL261186, Jsp006740, CHEMBL1521174, DTXSID9068110, CTK1C4806, CTK7I9857, KS-00000KNL, WYKHFQKONWMWQM-UHFFFAOYSA-N, HMS1531L04, HMS2762C10, ZINC155240, ALBB-005999, STR00420, ANW-28917, BBL005413, FC0308, MFCD01104135, RW1141, SBB000123, STK502131, STL191152, AKOS000118869, AKOS001058272, AC-6146, CS-W020029, FS-2590, LS20725, MCULE-9687940814, RP01881, RTR-015546, TRA0061941, NCGC00246502-01, AJ-56913, AK-48961, AN-10367, BR-48961, HC150282, L289, SC-15474, SMR000415864, ST005590, SY018289, AB0006347, AB1007351, DB-028130, ST2416999, TR-015546, A6522, AM20061759, BB 0242382, FT-0084618, FT-0612767, M1213, 21M469, W-6196, MFCD00010102 (97+%), 3-Pyridinecarboxylicacid, 1,2-dihydro-2-thioxo-, AI-204/31702063, I02-0482, J-503823, 2-Mercaptopyridine-3-carboxylic acid, technical grade, 2-sulfanylidene-1,2-dihydropyridine-3-carboxylic acid, Z56968976, F1716-0347, 3-Methoxy-2-nitropyridine, C6H5NO2S, C6-H5-N-O2-S, CID673681, 2-Mercaptonicotinic acid, 98% - 5G 5g, (4-methylpyridin-2-yl)methanamine hydrochloride, 1257535-59-3,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.004g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	155.171g/mol
Monoisotopic Mass	155.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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

Lot Number