CAS 1443981-48-3

1,1-Dimethylethyl N-[2-(2-propyn-1-ylsulfonyl)ethyl]carbamate

Description:

1,1-Dimethylethyl N-[2-(2-propyn-1-ylsulfonyl)ethyl]carbamate, identified by its CAS number 1443981-48-3, is a chemical compound that belongs to the class of carbamates. This substance features a complex structure characterized by the presence of a dimethyl group, which contributes to its steric hindrance, and a sulfonyl group linked to a propynyl moiety, indicating potential reactivity and biological activity. The compound is likely to exhibit moderate to high lipophilicity due to its hydrophobic groups, which can influence its solubility and permeability in biological systems. Additionally, the presence of the carbamate functional group suggests potential applications in agriculture, particularly as a pesticide or herbicide, due to its ability to interact with biological targets. Its stability, reactivity, and specific interactions with enzymes or receptors would depend on the molecular conformation and environmental conditions. Safety and handling precautions are essential, as with any chemical, to mitigate risks associated with exposure or environmental impact.

Formula: C₁₀H₁₇NO₄S

InChI: InChI=1S/C10H17NO4S/c1-5-7-16(13,14)8-6-11-9(12)15-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)

InChI key: InChIKey=DAAGZSFEANVEJR-UHFFFAOYSA-N

SMILES: C(S(CC#C)(=O)=O)CNC(OC(C)(C)C)=O

Synonyms:

• Carbamic acid, N-[2-(2-propyn-1-ylsulfonyl)ethyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl N-[2-(2-propyn-1-ylsulfonyl)ethyl]carbamate

tert-Butyl N-[2-(prop-2-yne-1-sulfonyl)ethyl]carbamate

CAS: 1443981-48-3

Versatile small molecule scaffold

Formula: C₁₀H₁₇NO₄S

Purity: Min. 95%

Molecular weight: 247.31 g/mol

Ref: 3D-THC98148