CAS 951890-63-4

1-(2-Chloro-2-propen-1-yl)-4-(ethylthio)benzene

Description:

1-(2-Chloro-2-propen-1-yl)-4-(ethylthio)benzene, identified by its CAS number 951890-63-4, is an organic compound characterized by the presence of a benzene ring substituted with both a chloroalkene and an ethylthio group. The chloroalkene moiety contributes to its reactivity, particularly in nucleophilic substitution reactions, while the ethylthio group can influence its solubility and overall chemical behavior. This compound is likely to be a colorless to pale yellow liquid, exhibiting a distinct aromatic odor typical of benzene derivatives. Its molecular structure suggests potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. The presence of the chlorine atom may also impart specific properties such as increased polarity, affecting its interaction with other chemical species. Safety considerations should be taken into account due to the potential toxicity associated with chlorine-containing compounds and the reactivity of the alkene functionality. Proper handling and storage conditions are essential to ensure safety and stability.

Formula: C₁₁H₁₃ClS

InChI: InChI=1S/C11H13ClS/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7H,2-3,8H2,1H3

InChI key: InChIKey=UCTPVWFUEQWFIB-UHFFFAOYSA-N

SMILES: C(C(=C)Cl)C1=CC=C(SCC)C=C1

Synonyms:

• Benzene, 1-(2-chloro-2-propen-1-yl)-4-(ethylthio)-
• 1-(2-Chloro-2-propen-1-yl)-4-(ethylthio)benzene