CAS 78160-05-1

2-[(4-methylphenyl)sulfanyl]-5-nitrobenzoic acid

Description:

2-[(4-Methylphenyl)sulfanyl]-5-nitrobenzoic acid, with the CAS number 78160-05-1, is an organic compound characterized by its complex structure, which includes a benzoic acid moiety substituted with both a nitro group and a thioether group. The presence of the 4-methylphenyl group introduces hydrophobic characteristics, while the nitro group contributes to its electron-withdrawing properties, potentially enhancing its reactivity in various chemical reactions. This compound is typically solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. Its functional groups suggest potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Additionally, the compound's unique structure may impart specific biological activities, making it of interest for further research in medicinal chemistry. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity or reactivity.

Formula: C₁₄H₁₁NO₄S

InChI: InChI=1/C14H11NO4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(15(18)19)8-12(13)14(16)17/h2-8H,1H3,(H,16,17)

SMILES: Cc1ccc(cc1)Sc1ccc(cc1C(=O)[O-])N(=O)=O

Synonyms:

• 5-Nitro-2-p-tolylsulfanyl-benzoic acid

2-[(4-Methylphenyl)sulfanyl]-5-nitrobenzoic acid

CAS: 78160-05-1

Versatile small molecule scaffold

Formula: C₁₄H₁₁NO₄S

Purity: Min. 95%

Molecular weight: 289.31 g/mol

Ref: 3D-DDA16005