AG001I0K

Name: 2-((2-Oxo-2-phenylethyl)thio)nicotinic acid
Brand: Angene Chemical
SKU: AG001I0K

142221-23-6 | 2-((2-Oxo-2-phenylethyl)thio)nicotinic acid

AG001I0K

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CAS Number	142221-23-6
Catalog Number	AG001I0K(AGN-PC-0KBHZF)
Chemical Name	2-((2-Oxo-2-phenylethyl)thio)nicotinic acid
IUPAC Name	2-phenacylsulfanylpyridine-3-carboxylic acid
InChI	InChI=1S/C14H11NO3S/c16-12(10-5-2-1-3-6-10)9-19-13-11(14(17)18)7-4-8-15-13/h1-8H,9H2,(H,17,18)
InChI Key	MJHMABNIGSEYKN-UHFFFAOYSA-N
MDL Number	MFCD00791575
Molecular Formula	C14H11NO3S
Molecular Weight	273.3070
SMILES	C1(C=CC=NC=1SCC(C1C=CC=CC=1)=O)C(O)=O
Synonyms	2-[(2-OXO-2-PHENYLETHYL)THIO]NICOTINIC ACID, 142221-23-6, 2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carboxylic acid, 2-((2-oxo-2-phenylethyl)thio)nicotinic acid, MLS000107107, AC1M1CAI, 2-phenacylsulfanylpyridine-3-carboxylic acid, ChemDiv1_015437, CHEMBL1346729, SCHEMBL14398428, CTK4C3000, HMS630N15, DTXSID10365894, HMS2501P15, ZINC2451124, MFCD00791575, STK398622, AKOS000805803, CCG-200142, MCULE-7860628366, AJ-35848, BAS 00533657, ML099, >=98% (HPLC), SMR000111479, 2-(2-oxo-2-phenylethylthio)nicotinic acid, DB-028368, FT-0767121, ST45174975, 2-(2-Oxo-2-phenylethylsulfanyl)nicotinic acid, W-7616, 2-(2-Oxo-2-phenyl-ethylsulfanyl)-nicotinic acid, SR-01000575233, SR-01000575233-1, 2-(2-oxo-2-phenylethylthio)pyridine-3-carboxylic acid, F0131-0038, 3-Pyridinecarboxylic acid, 2-[(2-oxo-2-phenylethyl)thio]-, 2-[ THIO]NICOTINICACID, CID2046224,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.046g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	273.306g/mol
Monoisotopic Mass	273.046g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	92.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited