AG019N6E

Name: 4-{[(pyridin-3-yl)methyl]sulfanyl}benzoic acid
Brand: Angene Chemical
SKU: AG019N6E

954269-24-0 | 4-{[(pyridin-3-yl)methyl]sulfanyl}benzoic acid

AG019N6E

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CAS Number	954269-24-0
Catalog Number	AG019N6E
Chemical Name	4-{[(pyridin-3-yl)methyl]sulfanyl}benzoic acid
IUPAC Name	4-(pyridin-3-ylmethylsulfanyl)benzoic acid
InChI	InChI=1S/C13H11NO2S/c15-13(16)11-3-5-12(6-4-11)17-9-10-2-1-7-14-8-10/h1-8H,9H2,(H,15,16)
InChI Key	HFAWRXYOQXAQEH-UHFFFAOYSA-N
MDL Number	MFCD09737036
Molecular Formula	C13H11NO2S
Molecular Weight	245.2969
SMILES	OC(C1=CC=C(SCC2=CN=CC=C2)C=C1)=O
Synonyms	4-[(pyridin-3-ylmethyl)sulfanyl]benzoic acid, 954269-24-0, 4-[(pyridin-3-ylmethyl)thio]benzoic acid, AC1Q73HB, CTK7I8155, ZINC22217240, AKOS000142428, 4-[(3-Pyridyl)methylthio]benzoic acid, MCULE-2964425455, NE47262, EN300-39514, 4-{[(pyridin-3-yl)methyl]sulfanyl}benzoic acid, Z398513620,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.051g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.296g/mol
Monoisotopic Mass	245.051g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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