AG005A4C

Name: 4-[(Pyridin-2-ylthio)methyl]benzoic acid
Brand: Angene Chemical
SKU: AG005A4C

82145-80-0 | 4-[(Pyridin-2-ylthio)methyl]benzoic acid

AG005A4C

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CAS Number	82145-80-0
Catalog Number	AG005A4C(AGN-PC-0WB4PU)
Chemical Name	4-[(Pyridin-2-ylthio)methyl]benzoic acid
IUPAC Name	4-(pyridin-2-ylsulfanylmethyl)benzoic acid
InChI	InChI=1S/C13H11NO2S/c15-13(16)11-6-4-10(5-7-11)9-17-12-3-1-2-8-14-12/h1-8H,9H2,(H,15,16)
InChI Key	WVJPZRUUOGYPAV-UHFFFAOYSA-N
MDL Number	MFCD01460018
Molecular Formula	C13H11NO2S
Molecular Weight	245.2969
SMILES	C(O)(=O)C1C=CC(=CC=1)CSC1C=CC=CN=1
Synonyms	82145-80-0, 4-[(PYRIDIN-2-YLTHIO)METHYL]BENZOIC ACID, 4-[(2-pyridinylthio)methyl]benzoic acid, 4-((Pyridin-2-ylthio)methyl)benzoic acid, 4-(pyridin-2-ylsulfanylmethyl)benzoic acid, 4-[(pyridin-2-ylsulfanyl)methyl]benzoic acid, 4-(2-pyridylthiomethyl)benzoic acid, BAS 04239966, AC1LEF7X, Cambridge id 6967867, TimTec1_004253, MLS000715715, SCHEMBL315313, CHEMBL1420653, CTK5E9446, ZINC52099, DTXSID60350654, HMS1546B07, HMS2642O14, ALBB-023961, ZX-AN022475, ZX-CM017113, MFCD01460018, SBB071805, STK663673, AKOS000136823, MCULE-9933119981, AJ-09132, SMR000277232, 4-[(2-pyridylsulfanyl)methyl]benzoic acid, BC4121102, ST4040496, 4-(Pyridin-2-ylsulfanylmethyl)-benzoic acid, benzoic acid, 4-[(2-pyridinylthio)methyl]-, W-8312, SR-01000521024, SR-01000521024-1, BRD-K60774302-001-09-8, A1854/0078045, 4-[ methyl]benzoicacid, CID685236,

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	2.7

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