CAS 126769-93-5
:3-(Isothiocyanatomethyl)-1-methoxy-1H-indole
Description:
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole, identified by its CAS number 126769-93-5, is a chemical compound that features an indole core, which is a bicyclic structure composed of a benzene ring fused to a pyrrole ring. This compound is characterized by the presence of an isothiocyanate functional group, which is known for its reactivity and potential biological activity. The methoxy group attached to the indole enhances its solubility and may influence its interaction with biological targets. Isothiocyanates are often studied for their potential anticancer properties and other pharmacological effects. The compound's structure suggests it may participate in various chemical reactions, including nucleophilic attack due to the electrophilic nature of the isothiocyanate group. Additionally, the presence of the methoxy group can affect the compound's electronic properties and steric hindrance, influencing its reactivity and biological activity. Overall, this compound is of interest in medicinal chemistry and may have applications in drug development and research.
Formula:C11H10N2OS
InChI:InChI=1S/C11H10N2OS/c1-14-13-7-9(6-12-8-15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3
InChI key:InChIKey=FLURSKCCKANNKS-UHFFFAOYSA-N
SMILES:C(N=C=S)C=1C=2C(N(OC)C1)=CC=CC2
Synonyms:- 3-(Isothiocyanatomethyl)-1-methoxy-1H-indole
- 1H-Indole, 3-(isothiocyanatomethyl)-1-methoxy-
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