CAS 900174-36-9

2-[(1-Methylethyl)thio]-5-nitrobenzaldehyde

Description:

2-[(1-Methylethyl)thio]-5-nitrobenzaldehyde is an organic compound characterized by its functional groups, which include a nitro group (-NO2) and an aldehyde group (-CHO) attached to a benzene ring. The presence of the thioether group, specifically the isopropylthio moiety, contributes to its unique chemical properties. This compound typically exhibits a yellow to orange color due to the nitro substitution on the aromatic ring, which can influence its reactivity and interaction with light. It is likely to be soluble in organic solvents, reflecting its non-polar characteristics, while being less soluble in water due to the hydrophobic nature of the thioether and aromatic components. The compound may participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions, making it of interest in synthetic organic chemistry. Additionally, its structural features may confer biological activity, warranting investigation in pharmaceutical applications. Safety data should be consulted for handling and usage, as compounds with nitro and aldehyde functionalities can pose health risks.

Formula: C₁₀H₁₁NO₃S

InChI: InChI=1S/C10H11NO3S/c1-7(2)15-10-4-3-9(11(13)14)5-8(10)6-12/h3-7H,1-2H3

InChI key: InChIKey=ZQINYAVNNDZHIT-UHFFFAOYSA-N

SMILES: S(C(C)C)C1=C(C=O)C=C(N(=O)=O)C=C1

Synonyms:

• Benzaldehyde, 2-[(1-methylethyl)thio]-5-nitro-
• 2-[(1-Methylethyl)thio]-5-nitrobenzaldehyde
• 2-(Isopropylthio)-5-nitrobenzaldehyde
• 2-(Isopropylsulfanyl)-5-nitrobenzaldehyde