Butyrylthiocholine iodide

Base Information

• Chemical Name: Butyrylthiocholine iodide
• CAS No.: 1866-16-6
• Molecular Formula: C9H20INOS
• Molecular Weight: 317.234
• Hs Code.: 29309090
• European Community (EC) Number: 217-475-7
• NSC Number: 91564
• DSSTox Substance ID: DTXSID10883765
• ChEMBL ID: CHEMBL148530
• Mol file: 1866-16-6.mol

Synonyms:(2-Mercaptoethyl)Trimethylammonium Butyrate;Butyrylthiocholine;Iodide, S-Butyrylthiocholine;S Butyrylthiocholine Iodide;S-Butyrylthiocholine Iodide

Chemical Property of Butyrylthiocholine iodide

Chemical Property:

• Appearance/Colour: white crystals or crystalline powder
• Melting Point: 171-174 ºC
• PSA: 42.37000
• Density: 1.3969 (estimate)
• LogP: -1.24350
• Storage Temp.: 2-8°C
• Sensitive.: Air & Moisture Sensitive & Hygro
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 317.03103
• Heavy Atom Count: 13
• Complexity: 140

Purity/Quality:

99%, ^*data from raw suppliers

Butyrylthiocholine Iodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)SCC[N+](C)(C)C.[I-]
• Uses: A chromogenic substrate for cholinesterases. S-Butyrylthiocholine Iodide is a chromogenic substrate for AChE(cholinesterases) and BChE(cholinesterases). Cleavage is measured colorimetrically at 405 nm.

Technology Process of Butyrylthiocholine iodide

There total 1 articles about Butyrylthiocholine iodide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

S-2-(dimethylamino)ethylbutanoylsulfane (63512-62-9) + methyl iodide (74-88-4) → Butyrylthiocholine iodide (1866-16-6)

Guidance literature:

In tetrahydrofuran; at 20 - 30 ℃; Inert atmosphere;

Reference yield:

Butyrylthiocholine iodide (1866-16-6) → β-mercaptoethyltrimethylammonium iodide (7161-73-1)

Guidance literature:

With acetylcholinesterase from Bactrocera dorsalis (Hendel); water; Enzyme kinetics;

DOI:10.1021/jf0494377

upstream raw materials:

S-2-(dimethylamino)ethylbutanoylsulfane

methyl iodide

Downstream raw materials:

β-mercaptoethyltrimethylammonium iodide

Refernces