CAS 112811-90-2: 2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid

Description: 2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid, with the CAS number 112811-90-2, is an organic compound characterized by the presence of a pyridine ring substituted with a carboxylic acid group and a phenylmethylthio group. This compound features a sulfur atom bonded to a phenylmethyl group, which contributes to its unique chemical properties. The pyridine ring provides basicity and potential for coordination with metal ions, while the carboxylic acid group imparts acidic characteristics, allowing for proton donation in solution. The presence of the phenyl group enhances the compound's hydrophobicity and can influence its solubility in organic solvents. Additionally, the thioether linkage may affect the compound's reactivity and stability. Overall, this compound may exhibit interesting biological activities and could be of interest in medicinal chemistry and material science due to its structural features and functional groups.

Formula: C₁₃H₁₁NO₂S

InChI: InChI=1S/C13H11NO2S/c15-13(16)11-7-4-8-14-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)

InChI key: InChIKey=OJNZDGDYAXCHPB-UHFFFAOYSA-N

SMILES: O=C(O)C1=CC=CN=C1SCC=2C=CC=CC2

Synonyms:

• 2-(Benzylsulfanyl)Pyridine-3-Carboxylic Acid
• 2-(Phenylmethylthio)-3-pyridinecarboxylic acid
• 2-Benzylsulfanyl-nicotinic acid
• 2-Benzylsulfanylpyridine-3-carboxylic acid
• 2-Thiobenzylnicotinic acid
• 2-[(Phenylmethyl)thio]-3-pyridinecarboxylic acid
• 3-Pyridinecarboxylic acid, 2-[(phenylmethyl)thio]-
• Biphenyl-2-Ylboronic Acid
• Ethyl 2-(Trifluoromethyl)Pyridine-3-Carboxylate

2-(Benzylthio)nicotinic Acid

CAS: 112811-90-2

• Formula: C₁₃H₁₁NO₂S
• Purity: >98.0%(GC)(T)
• Color and Shape: White to Almost white powder to crystal
• Molecular weight: 245.30

2-(Benzylthio)nicotinic acid

CAS: 112811-90-2

• Formula: C₁₃H₁₁NO₂S
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 245.2969

2-Thiobenzylnicotinic acid

CAS: 112811-90-2

• Purity: 0.97
• Molecular weight: 245.30g/mol

2-Thiobenzylnicotinic Acid

CAS: 112811-90-2

• Purity: 98.0%
• Molecular weight: 245.3000030517578

2-Thiobenzyl nicotinicacid

CAS: 112811-90-2

2-Thiobenzyl nicotinic acid is a synthetic compound that inhibits the growth of bacteria by binding …

• Formula: C₁₃H₁₁NO₂S
• Purity: Min. 95%
• Molecular weight: 245.3 g/mol