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CAS 53380-22-6

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2-[(ethylsulfanyl)methyl]phenyl methylcarbamate - 5-[2-(octylsulfinyl)propyl]-1,3-benzodioxole (1:1)

Description:
The chemical substance known as "2-[(ethylsulfanyl)methyl]phenyl methylcarbamate - 5-[2-(octylsulfinyl)propyl]-1,3-benzodioxole (1:1)" with CAS number 53380-22-6 is a complex organic compound that features multiple functional groups, including a carbamate and a benzodioxole moiety. Its structure suggests potential applications in medicinal chemistry, possibly as a pharmaceutical agent or a biochemical probe. The presence of sulfur-containing groups, such as ethylsulfanyl and octylsulfinyl, may impart unique reactivity and solubility characteristics, influencing its biological activity and interaction with various biological targets. The compound's molecular architecture indicates it may exhibit specific stereochemical properties, which could affect its pharmacokinetics and pharmacodynamics. Additionally, the combination of aromatic and aliphatic components may contribute to its overall stability and reactivity. As with many organic compounds, its behavior in different environments, such as solubility in various solvents and stability under different conditions, would be essential for understanding its practical applications and safety profile.
Formula:C29H43NO5S2
InChI:InChI=1/C18H28O3S.C11H15NO2S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17;1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h9-10,13,15H,3-8,11-12,14H2,1-2H3;4-7H,3,8H2,1-2H3,(H,12,13)
InChI key:InChIKey=OMOLDRXZKFFGJI-UHFFFAOYSA-N
SMILES:CCCCCCCCS(=O)C(C)Cc1ccc2c(c1)OCO2.CCSCc1ccccc1OC(=NC)O
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