CAS 103575-36-6

2-[(2-Bromophenyl)thio]acetonitrile

Description:

2-[(2-Bromophenyl)thio]acetonitrile, with the CAS number 103575-36-6, is an organic compound characterized by the presence of a bromophenyl group and a thioether linkage attached to an acetonitrile moiety. This compound typically exhibits a molecular structure that includes a sulfur atom bonded to a phenyl ring substituted with a bromine atom, along with a nitrile functional group (-C≡N). The presence of the bromine atom can influence the compound's reactivity and polarity, making it useful in various synthetic applications. It is generally a solid at room temperature and may have moderate solubility in organic solvents. The compound's properties, such as melting point, boiling point, and specific reactivity, can vary based on its purity and the conditions under which it is handled. As with many organosulfur compounds, it may exhibit interesting biological activities, making it a subject of interest in medicinal chemistry and material science. Proper safety precautions should be taken when handling this compound due to its potential toxicity and reactivity.

Formula: C₈H₆BrNS

InChI: InChI=1S/C8H6BrNS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,6H2

InChI key: InChIKey=ZLVOQOJLQVVJCG-UHFFFAOYSA-N

SMILES: S(CC#N)C1=C(Br)C=CC=C1

Synonyms:

• 2-[(2-Bromophenyl)thio]acetonitrile
• (2-Bromophenylthio)acetonitrile
• Acetonitrile, 2-[(2-bromophenyl)thio]-
• Acetonitrile, [(2-bromophenyl)thio]-
• 2-(2-Bromophenylthio)acetonitrile