AG00ACWZ

Name: 2-(Benzylthio)benzoic acid
Brand: Angene Chemical
SKU: AG00ACWZ

1531-80-2 | 2-(Benzylthio)benzoic acid

AG00ACWZ

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COA

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CAS Number	1531-80-2
Catalog Number	AG00ACWZ(AGN-PC-0JNYG8)
Chemical Name	2-(Benzylthio)benzoic acid
IUPAC Name	2-benzylsulfanylbenzoic acid
InChI	InChI=1S/C14H12O2S/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChI Key	IQMZULGMADGDLC-UHFFFAOYSA-N
MDL Number	MFCD00995231
Molecular Formula	C14H12O2S
Molecular Weight	244.3089
NSC Number	99111
SMILES	C(C1=CC=CC=C1)SC1=C(C(=O)O)C=CC=C1
Synonyms	2-(benzylthio)benzoic acid, 1531-80-2, 2-(benzylsulfanyl)benzenecarboxylic acid, 2-(benzylsulfanyl)benzoic acid, 2-benzylsulfanylbenzoic acid, benzoic acid, 2-[(phenylmethyl)thio]-, F0365-0008, 2-(phenylmethylthio)benzoic acid, NSC99111, AC1L6BBB, CBMicro_030205, S-benzyl thiosalicylic acid, AC1Q5UU8, AC1Q73OH, Cambridge id 5855860, 2-benzylsulfanyl-benzoic acid, 2-Benzylsulfanyl Benzoic Acid, DivK1c_005581, SCHEMBL1901284, CTK4C7731, benzylsulfanylbenzenecarboxylicacid, DTXSID20294984, IQMZULGMADGDLC-UHFFFAOYSA-N, HMS1787H20, ZINC124812, 2-[(phenylmethyl)thio]benzoic acid, ALBB-024830, KS-00001ZE7, 4759AD, CCG-50984, MFCD00995231, NSC-99111, SBB000842, STK330614, AKOS000141963, Benzoic acid,2-[(phenylmethyl)thio]-, 7K-659S, MCULE-3221984759, RP13960, CDS1_004541, CC-06031, ST013775, BIM-0030094.P001, AB0155677, BC6219585, TR-031227, FT-0680564, R3996, C-34848, J-506253, SR-01000640316-1, I01-13383, C14H12O2S, AR-1H9114, CID264182, 153634-54-9,

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