CAS 99186-88-6

4-(propylsulfonyl)benzoic acid

Description:

4-(Propylsulfonyl)benzoic acid is an organic compound characterized by its benzoic acid structure substituted with a propylsulfonyl group at the para position. This compound typically appears as a white to off-white solid and is soluble in polar solvents due to the presence of the sulfonyl group, which enhances its polarity. The sulfonyl group contributes to its potential as a reagent in organic synthesis and may also impart unique properties such as increased acidity compared to unsubstituted benzoic acid. The compound may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure allows for various interactions, including hydrogen bonding, which can influence its reactivity and solubility. Additionally, the presence of the propyl group can affect the steric hindrance and overall molecular conformation. As with many organic compounds, safety data should be consulted for handling and storage, as it may pose health risks if not managed properly.

Formula: C₁₀H₁₂O₄S

InChI: InChI=1/C10H12O4S/c1-2-7-15(13,14)9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

SMILES: CCCS(=O)(=O)c1ccc(cc1)C(=O)O

4-(Propane-1-sulfonyl)benzoic acid

CAS: 99186-88-6

Versatile small molecule scaffold

Formula: C₁₀H₁₂O₄S

Purity: Min. 95%

Molecular weight: 228.27 g/mol

Ref: 3D-ZDA18688