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CAS 955-54-4

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2-[(4-chlorophenyl)thio]nicotinic acid

Description:
2-[(4-Chlorophenyl)thio]nicotinic acid, with the CAS number 955-54-4, is a chemical compound that belongs to the class of thioether-substituted nicotinic acids. It features a nicotinic acid backbone, which is a pyridine derivative, substituted at the 2-position with a thioether group containing a 4-chlorophenyl moiety. This compound exhibits characteristics typical of both nicotinic acids and thioethers, including potential biological activity due to the presence of the pyridine ring and the chlorophenyl group, which may influence its lipophilicity and reactivity. It is likely to be a solid at room temperature and may have moderate solubility in organic solvents. The presence of the chlorophenyl group can impart unique electronic properties, potentially affecting its interaction with biological targets. Additionally, compounds of this nature may be investigated for their pharmacological properties, including anti-inflammatory or antimicrobial activities, making them of interest in medicinal chemistry. Safety and handling precautions should be observed due to the presence of chlorine and sulfur in its structure.
Formula:C12H7ClNO2S
InChI:InChI=1/C12H8ClNO2S/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)/p-1
SMILES:c1cc(c(nc1)Sc1ccc(cc1)Cl)C(=O)[O-]
Synonyms:
  • 2-(4-Chlorophenylthio)nicotinic acid
  • 2-[(4-Chlorophenyl)Sulfanyl]Pyridine-3-Carboxylic Acid
  • 2-[(4-Chlorophenyl)Sulfanyl]Pyridine-3-Carboxylate
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