AG019N1W

Name: 2-{[(4-carbamoylphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Brand: Angene Chemical
SKU: AG019N1W

1016690-79-1 | 2-{[(4-carbamoylphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid

AG019N1W

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CAS Number	1016690-79-1
Catalog Number	AG019N1W
Chemical Name	2-{[(4-carbamoylphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
IUPAC Name	2-[(4-carbamoylphenyl)methylsulfanyl]pyridine-3-carboxylic acid
InChI	InChI=1S/C14H12N2O3S/c15-12(17)10-5-3-9(4-6-10)8-20-13-11(14(18)19)2-1-7-16-13/h1-7H,8H2,(H2,15,17)(H,18,19)
InChI Key	JEDLXWWGNJKFFC-UHFFFAOYSA-N
MDL Number	MFCD09929717
Molecular Formula	C14H12N2O3S
Molecular Weight	288.3217
SMILES	NC(C1=CC=C(CSC2=C(C(O)=O)C=CC=N2)C=C1)=O
Synonyms	1016690-79-1, 2-{[4-(aminocarbonyl)benzyl]thio}nicotinic acid, 2-((4-Carbamoylbenzyl)thio)nicotinic acid, 2-{[(4-carbamoylphenyl)methyl]sulfanyl}pyridine-3-carboxylic acid, EN300-39178, AC1Q4ZC5, CTK7D2670, ZINC19427863, AKOS000172869, MCULE-2213527940, NE20132, Z229639492, 2-[(4-Carbamoylbenzyl)thio]nicotinic acid,

Complexity	356
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.057g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	288.321g/mol
Monoisotopic Mass	288.057g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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