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CAS 16220-05-6

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(2-Isothiocyanatopropyl)benzene

Description:
(2-Isothiocyanatopropyl)benzene, also known by its CAS number 16220-05-6, is an organic compound characterized by the presence of both isothiocyanate and aromatic benzene functionalities. This compound features a propyl chain attached to a benzene ring, with an isothiocyanate group (-N=C=S) at the second position of the propyl chain. It is typically a colorless to pale yellow liquid with a distinctive odor, indicative of isothiocyanate compounds. The presence of the isothiocyanate group suggests that it may exhibit biological activity, including potential antimicrobial and anticancer properties, making it of interest in medicinal chemistry and agrochemical applications. Its reactivity is influenced by the isothiocyanate moiety, which can participate in nucleophilic reactions, and it may also serve as a precursor for the synthesis of other chemical derivatives. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks upon exposure.
Formula:C10H11NS
InChI:InChI=1S/C10H11NS/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,9H,7H2,1H3
InChI key:InChIKey=AFKRLUUCCIMVQP-UHFFFAOYSA-N
SMILES:C(C(N=C=S)C)C1=CC=CC=C1
Synonyms:
  • (2-Isothiocyanatopropyl)Benzene
  • Amphetamine isothiocyanate
  • Benzene, (2-isothiocyanatopropyl)-
  • Isothiocyanic acid, α-methylphenethyl ester
  • alpha-Methylphenethyl isothiocyanate
  • β-Phenylisopropylisothiocyanate
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