AG005ZX4

Name: Methyl-3-mercaptobenzoate
Brand: Angene Chemical
SKU: AG005ZX4

72886-42-1 | Methyl-3-mercaptobenzoate

AG005ZX4

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CAS Number	72886-42-1
Catalog Number	AG005ZX4(AGN-PC-0L9UA7)
Chemical Name	Methyl-3-mercaptobenzoate
IUPAC Name	methyl 3-sulfanylbenzoate
InChI	InChI=1S/C8H8O2S/c1-10-8(9)6-3-2-4-7(11)5-6/h2-5,11H,1H3
InChI Key	SRGOMBXXNIVIPR-UHFFFAOYSA-N
MDL Number	MFCD02094279
Molecular Formula	C8H8O2S
Molecular Weight	168.2129
SMILES	O=C(OC)C1=CC=CC(S)=C1
Synonyms	METHYL 3-MERCAPTOBENZOATE, 72886-42-1, Methyl 3-sulfanylbenzoate, 3-Mercapto-benzoic Acid Methyl Ester, 3-Mercaptobenzoic acid methyl ester, PubChem20230, AC1N9LZB, SCHEMBL190224, CTK5D6987, KS-00001BPK, DTXSID80402386, SRGOMBXXNIVIPR-UHFFFAOYSA-N, CS-M0304, ZINC2389595, 8846AE, MFCD02094279, AKOS006276284, AN-1185, Benzoic acid,3-mercapto-, methyl ester, Benzoic acid, 3-mercapto-, methyl ester, FT-0671952, Methyl3-Mercaptobenzoate, C8H8O2S, CID4362804,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.025g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.21g/mol
Monoisotopic Mass	168.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	27.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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