CAS 14596-50-0
:3,4-DIMETHOXYBENZYL ISOTHIOCYANATE
Description:
3,4-Dimethoxybenzyl isothiocyanate is an organic compound characterized by the presence of both a benzyl group and an isothiocyanate functional group. Its molecular structure features a benzene ring substituted with two methoxy groups at the 3 and 4 positions, which enhances its solubility and reactivity. The isothiocyanate group, derived from thiocyanic acid, is known for its biological activity, including potential anticancer properties and antimicrobial effects. This compound is typically a pale yellow to light brown liquid or solid, depending on its purity and form. It is soluble in organic solvents like ethanol and dichloromethane but has limited solubility in water. 3,4-Dimethoxybenzyl isothiocyanate is of interest in medicinal chemistry and agricultural applications, particularly in the development of bioactive compounds. Safety data indicates that, like many isothiocyanates, it may be irritating to the skin and eyes, necessitating appropriate handling precautions in laboratory settings.
Formula:C10H11NO2S
InChI:InChI=1/C10H11NO2S/c1-12-9-4-3-8(6-11-7-14)5-10(9)13-2/h3-5H,6H2,1-2H3
SMILES:COc1ccc(cc1OC)CN=C=S
Synonyms:- 1-(3,4-Dimethoxybenzyl) Isothiocyanate
- 1-(2,6-Dimethoxybenzyl isothiocyanate
- 4-(Isothiocyanatomethyl)-1,2-Dimethoxybenzene
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3,4-Dimethoxybenzyl isothiocyanate
CAS:Formula:C10H11NO2SColor and Shape:SolidMolecular weight:209.26

