CAS 79313-54-5

4-[(1-Methylethyl)thio]butanoic acid

Description:

4-[(1-Methylethyl)thio]butanoic acid, also known by its CAS number 79313-54-5, is an organic compound characterized by the presence of a butanoic acid backbone with a thioether functional group. This compound features a butanoic acid moiety, which consists of a four-carbon chain terminating in a carboxylic acid group, and a thioether group where a sulfur atom is bonded to a branched alkyl group, specifically isopropyl (1-methylethyl). The presence of the thioether group can influence the compound's reactivity and solubility, making it potentially useful in various chemical applications, including synthesis and as a building block in organic chemistry. The compound is likely to exhibit moderate polarity due to the carboxylic acid functional group, while the thioether may impart unique properties such as increased lipophilicity. As with many organic acids, it may participate in acid-base reactions and could be involved in various biochemical processes. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₇H₁₄O₂S

InChI: InChI=1S/C7H14O2S/c1-6(2)10-5-3-4-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

InChI key: InChIKey=FLHNOANMAYVBSV-UHFFFAOYSA-N

SMILES: C(CSC(C)C)CC(O)=O

Synonyms:

• 4-[(1-Methylethyl)thio]butanoic acid
• NSC 35365
• Butanoic acid, 4-[(1-methylethyl)thio]-
• Butyric acid, 4-(isopropylthio)-