CAS 133920-06-6

(6-Isothiocyanatohexyl)benzene

Description:

(6-Isothiocyanatohexyl)benzene, with the CAS number 133920-06-6, is an organic compound characterized by the presence of both a benzene ring and an isothiocyanate functional group. The structure features a hexyl chain linking the isothiocyanate group to the benzene, which contributes to its unique chemical properties. Isothiocyanates are known for their reactivity, particularly in nucleophilic substitution reactions, and can participate in various chemical transformations. This compound may exhibit biological activity, as many isothiocyanates are studied for their potential anticancer properties and other health benefits. Additionally, the presence of the benzene ring can influence its solubility and stability, making it more hydrophobic. The compound's characteristics, including its melting point, boiling point, and reactivity, can be influenced by the length of the alkyl chain and the nature of the substituents on the benzene ring. Overall, (6-Isothiocyanatohexyl)benzene is a compound of interest in both synthetic chemistry and biological research.

Formula: C₁₃H₁₇NS

InChI: InChI=1S/C13H17NS/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10H,1-2,4,7-8,11H2

InChI key: InChIKey=VJNWEQGIPZMBMA-UHFFFAOYSA-N

SMILES: C(CCCCCN=C=S)C1=CC=CC=C1

Synonyms:

• (6-Isocyanatohexyl)Benzene
• (6-Isothiocyanatohexyl)Benzene
• Benzene, (6-isothiocyanatohexyl)-
• Phenylhexyl Isothiocyanate
• 6-Phenylhexyl isothiocyanate