CAS 118939-09-6
:2-Methyl-4-(methylsulfonyl)benzoic acid
Description:
2-Methyl-4-(methylsulfonyl)benzoic acid, with the CAS number 118939-09-6, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a methyl group and a methylsulfonyl group. This compound typically exhibits properties associated with both carboxylic acids and sulfonyl compounds, including moderate solubility in polar solvents due to the presence of the carboxylic acid functional group. The methylsulfonyl group enhances its polarity and may influence its reactivity and interactions with biological systems. It is often studied for its potential applications in pharmaceuticals and agrochemicals, particularly as a building block in the synthesis of more complex molecules. The presence of the methyl group can affect the compound's steric hindrance and electronic properties, which may play a role in its biological activity. Overall, 2-Methyl-4-(methylsulfonyl)benzoic acid is of interest in various fields, including medicinal chemistry and materials science, due to its unique structural features and functional groups.
Formula:C9H10O4S
InChI:InChI=1S/C9H10O4S/c1-6-5-7(14(2,12)13)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI key:InChIKey=WEKZLBGODVDBBZ-UHFFFAOYSA-N
SMILES:S(C)(=O)(=O)C1=CC(C)=C(C(O)=O)C=C1
Synonyms:- 2-Methyl-4-(methylsulfonyl)benzoic acid
- Benzoic acid, 2-methyl-4-(methylsulfonyl)-
- 2-Methyl-4-methylsulfonylbenzoic acid
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