AG004FR5

Name: 4-[(Phenylsulfanyl)methyl]benzoic acid
Brand: Angene Chemical
SKU: AG004FR5

88382-49-4 | 4-[(Phenylsulfanyl)methyl]benzoic acid

AG004FR5

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CAS Number	88382-49-4
Catalog Number	AG004FR5(AGN-PC-0JXEZJ)
Chemical Name	4-[(Phenylsulfanyl)methyl]benzoic acid
IUPAC Name	4-(phenylsulfanylmethyl)benzoic acid
InChI	InChI=1S/C14H12O2S/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16)
InChI Key	PPCGTVWKHISHFJ-UHFFFAOYSA-N
MDL Number	MFCD03991405
Molecular Formula	C14H12O2S
Molecular Weight	244.3089
SMILES	OC(C1=CC=C(CSC2=CC=CC=C2)C=C1)=O
Synonyms	4-[(phenylthio)methyl]benzoic acid, 4-[(phenylsulfanyl)methyl]benzoic acid, 88382-49-4, Benzoic acid,4-[(phenylthio)methyl]-, 4-((Phenylthio)methyl)benzoic acid, 4-(phenylsulfanylmethyl)benzoic Acid, AC1LGRW1, AC1Q5TWT, AC1Q73AV, SCHEMBL509527, 4-(phenylthiomethyl)benzoic acid, CTK5F9753, PPCGTVWKHISHFJ-UHFFFAOYSA-N, ZINC444231, 4-Phenylsulfanylmethyl-benzoic acid, STL285244, AKOS000104147, MCULE-6588914295, NE18000, ST51015399, EN300-09656, SR-01000230566, SR-01000230566-1, AR-1F9423, CID875824, 89797-56-8,

Complexity	241
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