AG003I98

Name: 3'-(Methylthio)biphenyl-3-carboxylic acid
Brand: Angene Chemical
SKU: AG003I98

885965-43-5 | 3'-(Methylthio)biphenyl-3-carboxylic acid

AG003I98

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CAS Number	885965-43-5
Catalog Number	AG003I98(AGN-PC-0WRA3C)
Chemical Name	3'-(Methylthio)biphenyl-3-carboxylic acid
IUPAC Name	3-(3-methylsulfanylphenyl)benzoic acid
InChI	InChI=1S/C14H12O2S/c1-17-13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key	YQYOLHQFXAEDTK-UHFFFAOYSA-N
MDL Number	MFCD06858745
Molecular Formula	C14H12O2S
Molecular Weight	244.3089
SMILES	CSc1cccc(c1)c1cccc(c1)C(=O)O
Synonyms	885965-43-5, 3'-(Methylthio)biphenyl-3-carboxylic acid, 3'-(Methylthio)-[1,1'-biphenyl]-3-carboxylic acid, CTK5G0887, ZINC4204285, MFCD06858745, AKOS015852546, 3'-Methylsulfanylbiphenyl-3-carboxylic acid, TR-038193, M40054, 3'-(methylthio)biphenyl-3-carboxylicacid, 3-(Methylthio)biphenyl-3-carboxylic acid,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.056g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.308g/mol
Monoisotopic Mass	244.056g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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