CAS 85099-02-1

2-Isothiocyanato-1-methoxybutane

Description:

2-Isothiocyanato-1-methoxybutane is an organic compound characterized by the presence of an isothiocyanate functional group (-N=C=S) attached to a butane backbone with a methoxy group (-OCH₃) at the first carbon. This compound typically appears as a colorless to pale yellow liquid and has a distinctive, pungent odor associated with isothiocyanates. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic nature. The presence of the isothiocyanate group suggests that it may exhibit biological activity, including potential antimicrobial and anticancer properties, which are common among isothiocyanates. Additionally, the methoxy group can influence the compound's reactivity and stability. Safety precautions should be taken when handling this substance, as isothiocyanates can be irritants and may pose health risks upon exposure. Overall, 2-Isothiocyanato-1-methoxybutane is of interest in both synthetic organic chemistry and potential applications in pharmaceuticals and agrochemicals.

Formula: C₆H₁₁NOS

InChI: InChI=1S/C6H11NOS/c1-3-6(4-8-2)7-5-9/h6H,3-4H2,1-2H3

InChI key: InChIKey=IVNMWEWWGCVXEY-UHFFFAOYSA-N

SMILES: C(COC)(N=C=S)CC

Synonyms:

• 2-Isothiocyanato-1-methoxybutane
• 2-isothiocyanato-1-methoxybutane
• Butane, 2-isothiocyanato-1-methoxy-
• 1-(Methoxymethyl)propyl isothiocyanate