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CAS 737000-80-5

:

1-Chloro-4-[(1R)-1-isothiocyanatoethyl]benzene

Description:
1-Chloro-4-[(1R)-1-isothiocyanatoethyl]benzene, with the CAS number 737000-80-5, 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 chiral center, which contributes to its stereochemistry, specifically the (1R) configuration. The chloro substituent typically enhances the compound's reactivity, while the isothiocyanate group is known for its biological activity, including potential applications in medicinal chemistry and agrochemicals. The presence of these functional groups suggests that the compound may exhibit unique chemical properties, such as nucleophilicity and electrophilicity, which can be exploited in various chemical reactions. Additionally, the compound's structure may influence its solubility, stability, and interaction with biological systems. Overall, 1-Chloro-4-[(1R)-1-isothiocyanatoethyl]benzene represents a versatile chemical entity with potential applications in research and industry, particularly in the fields of pharmaceuticals and agrochemicals.
Formula:C9H8ClNS
InChI:InChI=1S/C9H8ClNS/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m1/s1
InChI key:InChIKey=BQJKNZREKDQMQA-SSDOTTSWSA-N
SMILES:[C@@H](N=C=S)(C)C1=CC=C(Cl)C=C1
Synonyms:
  • Benzene, 1-chloro-4-[(1R)-1-isothiocyanatoethyl]-
  • 1-Chloro-4-[(1R)-1-isothiocyanatoethyl]benzene
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