CAS 66949-29-9

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

Description:

2-[(4-Chlorophenyl)sulfanyl]-5-nitrobenzoic acid, with the CAS number 66949-29-9, is an organic compound characterized by its complex structure that includes a benzoic acid moiety substituted with both a nitro group and a chlorophenyl sulfanyl group. This compound typically exhibits properties associated with aromatic compounds, such as stability and the potential for electrophilic substitution reactions. The presence of the nitro group introduces electron-withdrawing characteristics, which can influence the compound's reactivity and solubility in various solvents. The chlorophenyl sulfanyl group contributes to the compound's overall polarity and may affect its biological activity, making it of interest in pharmaceutical research. Additionally, the compound's functional groups suggest potential applications in organic synthesis and medicinal chemistry, particularly in the development of new therapeutic agents. Its physical properties, such as melting point and solubility, would depend on the specific conditions and purity of the sample. Overall, this compound represents a unique combination of functional groups that can be explored for various chemical applications.

Formula: C₁₃H₈ClNO₄S

InChI: InChI=1/C13H8ClNO4S/c14-8-1-4-10(5-2-8)20-12-6-3-9(15(18)19)7-11(12)13(16)17/h1-7H,(H,16,17)

SMILES: c1cc(ccc1Cl)Sc1ccc(cc1C(=O)O)N(=O)=O

Synonyms:

• Benzoic Acid, 2-[(4-Chlorophenyl)Thio]-5-Nitro-

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

CAS: 66949-29-9

Versatile small molecule scaffold

Formula: C₁₃H₈ClNO₄S

Purity: Min. 95%

Molecular weight: 309.73 g/mol

Ref: 3D-RCA94929