CAS 38752-40-8

1-chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene

Description:

1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene, with the CAS number 38752-40-8, is an organic compound characterized by the presence of a chloro group and an isothiocyanate functional group attached to a benzene ring. This compound features a sulfur atom linked to an ethyl chain that terminates in an isothiocyanate group, which is known for its reactivity and potential biological activity. The chloro substituent on the benzene ring contributes to the compound's electrophilic properties, making it useful in various chemical reactions, including nucleophilic substitutions. The isothiocyanate group is often associated with biological activity, including potential anticancer properties and effects on cellular signaling pathways. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its reactivity and functional groups suggest potential applications in medicinal chemistry, agrochemicals, and materials science. Safety precautions should be taken when handling this compound due to its reactive nature and potential toxicity.

Formula: C₉H₈ClNS₂

InChI: InChI=1/C9H8ClNS2/c10-8-1-3-9(4-2-8)13-6-5-11-7-12/h1-4H,5-6H2

Synonyms:

• 1-chloro-4-[(2-isothiocyanatoethyl)thio]benzene

1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene

CAS: 38752-40-8

Versatile small molecule scaffold

Formula: C₉H₈ClNS₂

Purity: Min. 95%

Molecular weight: 229.8 g/mol

Ref: 3D-NBA75240