CAS 95656-85-2

1,1-Dimethylethyl N-[3-(methylthio)propyl]carbamate

Description:

1,1-Dimethylethyl N-[3-(methylthio)propyl]carbamate, with the CAS number 95656-85-2, is an organic compound characterized by its carbamate functional group. This substance features a tert-butyl group (1,1-dimethylethyl) attached to a nitrogen atom, which is further linked to a propyl chain that includes a methylthio group. The presence of the methylthio group suggests potential applications in agricultural chemistry, particularly as a pesticide or herbicide, due to its ability to interact with biological systems. The compound is likely to exhibit moderate solubility in organic solvents, while its stability may be influenced by environmental factors such as temperature and pH. Additionally, the structure indicates potential for reactivity under certain conditions, making it important to handle with care. As with many carbamates, it may possess neurotoxic properties, necessitating appropriate safety measures during use and handling. Overall, this compound's unique structure and functional groups contribute to its potential utility in various chemical applications.

Formula: C₉H₁₉NO₂S

InChI: InChI=1S/C9H19NO2S/c1-9(2,3)12-8(11)10-6-5-7-13-4/h5-7H2,1-4H3,(H,10,11)

InChI key: InChIKey=RNBMXSWJFLMBEE-UHFFFAOYSA-N

SMILES: C(NCCCSC)(OC(C)(C)C)=O

Synonyms:

• Carbamic acid, [3-(methylthio)propyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[3-(methylthio)propyl]carbamate
• Carbamic acid, N-[3-(methylthio)propyl]-, 1,1-dimethylethyl ester