CAS 893764-79-9

4-(Cyclopentylthio)-3-nitrobenzoic acid

Description:

4-(Cyclopentylthio)-3-nitrobenzoic acid is an organic compound characterized by its unique structure, which includes a benzoic acid moiety substituted with a nitro group and a cyclopentylthio group. This compound features a cyclopentyl group attached to a sulfur atom, which is further connected to a nitro-substituted benzene ring. The presence of the nitro group introduces electron-withdrawing characteristics, influencing the compound's reactivity and potential applications in organic synthesis. The benzoic acid functional group contributes to its acidity and solubility properties, making it relevant in various chemical reactions. Additionally, the cyclopentylthio group can enhance the compound's lipophilicity, potentially affecting its biological activity and interactions. Overall, 4-(Cyclopentylthio)-3-nitrobenzoic acid is of interest in medicinal chemistry and materials science, where its unique structural features may be exploited for developing new pharmaceuticals or functional materials.

Formula: C₁₂H₁₃NO₄S

InChI: InChI=1S/C12H13NO4S/c14-12(15)8-5-6-11(10(7-8)13(16)17)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)

InChI key: InChIKey=QFRRVRJMPRJHQD-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(SC2CCCC2)C=CC(C(O)=O)=C1

Synonyms:

• 4-(Cyclopentylthio)-3-nitrobenzoic acid
• Benzoic acid, 4-(cyclopentylthio)-3-nitro-
• 4-(cyclopentylthio)-3-nitro-benzoic acid
• 4-cyclopentylsulfanyl-3-nitrobenzoic acid
• 4-cyclopentylsulfanyl-3-nitro-benzoic acid
• MFCD07658083