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CAS 749261-40-3

:

1-[(1R)-1-Isothiocyanatoethyl]-4-methoxybenzene

Description:
1-[(1R)-1-Isothiocyanatoethyl]-4-methoxybenzene, with the CAS number 749261-40-3, is an organic compound characterized by the presence of both isothiocyanate and methoxy functional groups. This compound features a benzene ring substituted with a methoxy group at the para position and an isothiocyanatoethyl group at the ortho position. The isothiocyanate functional group is known for its reactivity, particularly in nucleophilic addition reactions, and can serve as a precursor for various chemical transformations. The methoxy group contributes to the compound's overall polarity and can influence its solubility in organic solvents. Additionally, the stereochemistry indicated by the (1R) configuration suggests specific spatial arrangements that may affect the compound's biological activity and interactions. Overall, this compound may exhibit interesting properties and potential applications in fields such as medicinal chemistry, agrochemicals, or materials science, depending on its reactivity and functional characteristics.
Formula:C10H11NOS
InChI:InChI=1S/C10H11NOS/c1-8(11-7-13)9-3-5-10(12-2)6-4-9/h3-6,8H,1-2H3/t8-/m1/s1
InChI key:InChIKey=HOWJPQXDLZDTBF-MRVPVSSYSA-N
SMILES:[C@@H](N=C=S)(C)C1=CC=C(OC)C=C1
Synonyms:
  • Benzene, 1-[(1R)-1-isothiocyanatoethyl]-4-methoxy-
  • (R)-1-(1-Isothiocyanatoethyl)-4-methoxybenzene
  • 1-[(1R)-1-Isothiocyanatoethyl]-4-methoxybenzene
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