AG003HVY

Name: 2-((Phenylthio)methyl)benzoic acid
Brand: Angene Chemical
SKU: AG003HVY

1699-03-2 | 2-((Phenylthio)methyl)benzoic acid

AG003HVY

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CAS Number	1699-03-2
Catalog Number	AG003HVY(AGN-PC-0JLBJR)
Chemical Name	2-((Phenylthio)methyl)benzoic acid
EC Number	216-922-3
IUPAC Name	2-(phenylsulfanylmethyl)benzoic acid
InChI	InChI=1S/C14H12O2S/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
InChI Key	QXPRAGVOCILNHG-UHFFFAOYSA-N
MDL Number	MFCD00089444
Molecular Formula	C14H12O2S
Molecular Weight	244.3089
SMILES	O=C(O)C1=CC=CC=C1CSC2=CC=CC=C2
Synonyms	1699-03-2, 2-((Phenylthio)methyl)benzoic acid, 2-Phenylthiomethylbenzoic Acid, 2-(phenylthiomethyl)benzoic acid, 2-[(Phenylthio)methyl]benzoic acid, AE-641/25069039, 2-(phenylsulfanylmethyl)benzoic acid, 2-[(phenylsulfanyl)methyl]benzoic acid, EINECS 216-922-3, benzoic acid, 2-[(phenylthio)methyl]-, AC1L2LOY, AC1Q5TGV, ACMC-1BS3Y, 2-PhenylthiomethylbenzoicAcid, o-phenylthiomethylbenzoic acid, SCHEMBL1931922, 2-Phenylmercaptomethylbenzoic Acid, QXPRAGVOCILNHG-UHFFFAOYSA-N, KS-000014TV, ZINC2575238, ANW-22423, MFCD00089444, SBB003192, AKOS000190784, Benzoic acid,2-[(phenylthio)methyl]-, ACM1699032, MCULE-2538001686, MS-2280, VZ34806, 2-(phenylmercapto-methyl) -benzoic acid, TC-111168, FT-0768289, P1360, ST50331240, C-55650, SR-01000308537, SR-01000308537-1, I14-108599, C14H12O2S, CID74337, AR-1H9115, C14-H12-O2-S, Benzoic acid, 2-((phenylthio)methyl)-, 1730-48-9,

Complexity	249
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	4
Topological Polar Surface Area	62.6A^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