AG00ID1V

Name: 2-[(2,5-dimethylphenyl)sulfanyl]pyridine-3-carboxylic acid
Brand: Angene Chemical
SKU: AG00ID1V

795290-92-5 | 2-[(2,5-dimethylphenyl)sulfanyl]pyridine-3-carboxylic acid

AG00ID1V

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CAS Number	795290-92-5
Catalog Number	AG00ID1V
Chemical Name	2-[(2,5-dimethylphenyl)sulfanyl]pyridine-3-carboxylic acid
IUPAC Name	2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylic acid
InChI	InChI=1S/C14H13NO2S/c1-9-5-6-10(2)12(8-9)18-13-11(14(16)17)4-3-7-15-13/h3-8H,1-2H3,(H,16,17)
InChI Key	AEAZUZWTSYGEJY-UHFFFAOYSA-N
MDL Number	MFCD06368757
Molecular Formula	C14H13NO2S
Molecular Weight	259.3235
SMILES	CC1=CC(SC2=C(C(O)=O)C=CC=N2)=C(C)C=C1
Synonyms	2-[(2,5-dimethylphenyl)sulfanyl]pyridine-3-carboxylic acid, 2-[(2,5-dimethylphenyl)thio]nicotinic acid, 795290-92-5, AC1Q2JDA, AC1M7Q1A, CTK6B7435, 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylic Acid, ZINC3330553, MFCD06368757, AKOS000122796, MCULE-3457481112, NE45970, EN300-12154, AB00729594-01, Z57050123, CID2446577,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.067g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	259.323g/mol
Monoisotopic Mass	259.067g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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