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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-[(benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid

OC(=O)c1oc2c(c1CSCc1ccccc1)cccc2 Request for Quotation
Chemical Name: 3-[(benzylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
CAS Number: 565174-28-9
Product Number: AG00IA2X(AGN-00I9XD)
Synonyms:
MDL No:
Molecular Formula: C17H14O3S
Molecular Weight: 298.3563

Identification/Properties

Computed Properties
Molecular Weight:
298.356g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
298.066g/mol
Monoisotopic Mass:
298.066g/mol
Topological Polar Surface Area:
75.7A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
354
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-[[(Phenylmethyl)thio]methyl]-2-benzofurancarboxylic acid, also known as $name$, is a versatile compound widely utilized in chemical synthesis. This compound plays a crucial role in several synthetic processes, particularly in the pharmaceutical and agrochemical industries.One of the key applications of $name$ is its use as a building block in the synthesis of various pharmaceutical compounds. The presence of the benzofuran ring in the molecular structure of $name$ imparts unique pharmacological properties, making it a valuable intermediate in the production of potential drug candidates. Additionally, the thioether functionality provided by the phenylmethylthio group enhances the biological activity and metabolic stability of the final products.Furthermore, $name$ serves as a valuable reagent in the preparation of complex organic molecules through various synthetic methodologies. Its ability to undergo functional group transformations and undergo selective reactions makes it a valuable tool for chemists in designing and synthesizing novel compounds.In the field of agrochemistry,  $name$ is also applied in the development of pesticides and herbicides due to its structural features that can be tailored to impart specific biological activities against pests and weeds.Overall, the diverse applications of 3-[[(Phenylmethyl)thio]methyl]-2-benzofurancarboxylic acid make it a valuable and versatile compound in chemical synthesis, with significant implications in drug discovery, agrochemical development, and material science.