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CAS 737000-99-6

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1-[(1S)-1-Isothiocyanatoethyl]-3-methoxybenzene

Description:
1-[(1S)-1-Isothiocyanatoethyl]-3-methoxybenzene, with the CAS number 737000-99-6, is an organic compound characterized by the presence of both isothiocyanate and methoxy functional groups. This compound features a methoxy group (-OCH3) attached to a benzene ring, which contributes to its aromatic properties and potential reactivity. The isothiocyanate group (-N=C=S) is known for its biological activity, often exhibiting antimicrobial and anticancer properties. The stereochemistry indicated by the (1S) designation suggests a specific three-dimensional arrangement of atoms, which can influence the compound's reactivity and interaction with biological systems. The presence of the isothiocyanate moiety also suggests potential applications in medicinal chemistry and agrochemicals. Overall, this compound's unique structure may lead to diverse applications in research, particularly in the fields of pharmacology and organic synthesis.
Formula:C10H11NOS
InChI:InChI=1S/C10H11NOS/c1-8(11-7-13)9-4-3-5-10(6-9)12-2/h3-6,8H,1-2H3/t8-/m0/s1
InChI key:InChIKey=VLULNKVRCHBYJM-QMMMGPOBSA-N
SMILES:[C@H](N=C=S)(C)C1=CC(OC)=CC=C1
Synonyms:
  • 1-[(1S)-1-Isothiocyanatoethyl]-3-methoxybenzene
  • Benzene, 1-[(1S)-1-isothiocyanatoethyl]-3-methoxy- (9CI)
  • Benzene, 1-[(1S)-1-isothiocyanatoethyl]-3-methoxy-
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