CAS 22026-63-7

N,N,N-Trimethyl-2-[(1-oxobutyl)thio]Ethanaminium chloride (1:1)

Description:

N,N,N-Trimethyl-2-[(1-oxobutyl)thio]ethanaminium chloride, with the CAS number 22026-63-7, is a quaternary ammonium compound characterized by its cationic nature due to the presence of a positively charged nitrogen atom that is bonded to three methyl groups and a butylthio group. This compound typically appears as a white to off-white solid or crystalline substance and is soluble in water, which is a common trait of quaternary ammonium salts. Its structure includes a thioether linkage, which can impart unique reactivity and properties, such as potential antimicrobial activity. The presence of the oxobutyl group suggests that it may participate in various chemical reactions, including nucleophilic substitutions. As a quaternary ammonium compound, it may also exhibit surfactant properties, making it useful in formulations for cleaning, disinfection, or as a phase transfer catalyst. Safety data should be consulted for handling and potential toxicity, as quaternary ammonium compounds can be irritants and have specific environmental considerations.

Formula: C₉H₂₀NOS·Cl

InChI: InChI=1S/C9H20NOS.ClH/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1

InChI key: InChIKey=QYNZLUZQWOCGCH-UHFFFAOYSA-M

SMILES: C([N+](C)(C)C)CSC(CCC)=O.[Cl-]

Synonyms:

• 2-(butanoylsulfanyl)-N,N,N-trimethylethanaminium chloride
• Ammonium, (2-mercaptoethyl)trimethyl-, chloride, butyrate
• Butyric acid, thio-, S-ester with (2-mercaptoethyl)trimethylammonium chloride
• Ethanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, chloride
• Ethanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, chloride (1:1)
• N,N,N-Trimethyl-2-[(1-oxobutyl)thio]Ethanaminium chloride (1:1)
• S-Butyrylthiocholine chloride

S-butyrylthiocholine chloride

CAS: 22026-63-7

Formula: C₉H₂₀ClNOS

Purity: 95%

Color and Shape: Solid

Molecular weight: 225.7792

Ref: IN-DA003U7K

Butyrylthiocholine chloride

CAS: 22026-63-7

Formula: C₉H₂₀ClNOS

Purity: ≥ 97%

Color and Shape: White, off-white or faint beige powder

Molecular weight: 225.78

Ref: 7W-GE5713

2-Butanoylsulfanylethyl(trimethyl)azanium Chloride

Controlled Product

CAS: 22026-63-7

Applications 2-Butanoylsulfanylethyl(trimethyl)azanium Chloride is a metabolite analyzed from the bark of Weinmannia trichosperma Cav. (Cunoniaceae), which has been used to treat chronic diarrhea, inflammation, and wounds.
References Barrientos, R., et al.: Front. Pharmacol., 11, 780 (2020)

Formula: C₉H₂₀ClNOS

Color and Shape: White

Molecular weight: 225.78

Ref: TR-B872370