CAS 842140-44-7

1-(2-Bromo-2-propen-1-yl)-4-(methylthio)benzene

Description:

1-(2-Bromo-2-propen-1-yl)-4-(methylthio)benzene, with the CAS number 842140-44-7, is an organic compound characterized by its unique structure that includes a bromopropene group and a methylthio substituent on a benzene ring. This compound typically exhibits properties associated with both aromatic and aliphatic systems, such as stability due to the resonance of the benzene ring and reactivity due to the presence of the bromine atom and the double bond in the propenyl group. The methylthio group can influence the compound's electronic properties and reactivity, potentially making it a candidate for various chemical reactions, including nucleophilic substitutions and electrophilic additions. Its applications may extend to fields such as organic synthesis, materials science, and possibly in the development of pharmaceuticals or agrochemicals. The presence of bromine also suggests potential for further functionalization, making it a versatile intermediate in synthetic chemistry. As with many organic compounds, safety and handling precautions should be observed due to its potential reactivity and toxicity.

Formula: C₁₀H₁₁BrS

InChI: InChI=1/C10H11BrS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,1,7H2,2H3

InChI key: InChIKey=KOQPYTYLRBXZQA-UHFFFAOYSA-N

SMILES: C(C(Br)=C)C1=CC=C(SC)C=C1

Synonyms:

• 1-(2-Bromo-2-propen-1-yl)-4-(methylthio)benzene
• 4-(2-Bromoprop-2-en-1-yl)phenyl methyl sulfide
• Benzene, 1-(2-bromo-2-propen-1-yl)-4-(methylthio)-
• Benzene, 1-(2-bromo-2-propenyl)-4-(methylthio)-
• 1-(2-Bromoprop-2-en-1-yl)-4-(methylsulfanyl)benzene