CAS 94231-77-3

1-Ethoxy-3-isothiocyanatopropane

Description:

1-Ethoxy-3-isothiocyanatopropane is an organic compound characterized by the presence of both an ethoxy group and an isothiocyanate functional group. Its molecular structure consists of a three-carbon propane backbone, with an ethoxy group (-OCH2CH3) attached to one end and an isothiocyanate group (-N=C=S) attached to the third carbon. This compound is typically a colorless to pale yellow liquid and is known for its reactivity, particularly due to the isothiocyanate moiety, which can participate in various chemical reactions, including nucleophilic substitutions and cycloadditions. It may exhibit biological activity, making it of interest in fields such as medicinal chemistry and agrochemicals. The compound is soluble in organic solvents and may have limited solubility in water. Safety precautions should be taken when handling this substance, as isothiocyanates can be irritants and may pose health risks. Overall, 1-Ethoxy-3-isothiocyanatopropane is a versatile compound with potential applications in chemical synthesis and research.

Formula: C₆H₁₁NOS

InChI: InChI=1S/C6H11NOS/c1-2-8-5-3-4-7-6-9/h2-5H2,1H3

InChI key: InChIKey=SJVDIGVFWQSKFN-UHFFFAOYSA-N

SMILES: C(CN=C=S)COCC

Synonyms:

• 1-Ethoxy-3-Isothiocyanatopropane
• Propane, 1-ethoxy-3-isothiocyanato-
• 3-Ethoxypropyl isothiocyanate

1-Ethoxy-3-isothiocyanato-propane

CAS: 94231-77-3

Formula: C₆H₁₁NOS

Molecular weight: 145.22

Ref: 10-F025959