Acetylthiocholine chloride

Base Information

• Chemical Name: Acetylthiocholine chloride
• CAS No.: 6050-81-3
• Molecular Formula: C7H16 N O S . Cl
• Molecular Weight: 197.729
• Hs Code.: 29309070
• European Community (EC) Number: 227-953-7
• DSSTox Substance ID: DTXSID90975910
• ChEMBL ID: CHEMBL1256181
• Mol file: 6050-81-3.mol

Synonyms:Acetylthiocholine chloride;6050-81-3;2-(Acetylthio)-N,N,N-trimethylethanaminium chloride;2-Acetylthioethyltrimethylammonium chloride;EINECS 227-953-7;(2-Mercaptoethyl)trimethylammonium chloride acetate;Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, chloride;2-acetylsulfanylethyl(trimethyl)azanium;chloride;[2-(acetylsulfanyl)ethyl]trimethylazanium chloride;(2-Acetylthio)-N,N,N-trimethylethanaminum chloride;AMMONIUM, (2-MERCAPTOETHYL)TRIMETHYL-, CHLORIDE, ACETATE;s-Acetylthiocholine chloride;C7H16NOS.Cl;2-acetylsulfanylethyl(trimethyl)azanium chloride;2-acetylsulfanylethyl(trimethyl)azanium,chloride;MLS001056723;C7-H16-N-O-S.Cl;SCHEMBL1276372;CHEMBL1256181;DTXSID90975910;HMS2233H15;HMS3260K17;HMS3371D04;Tox21_500058;AKOS006230681;CCG-221362;LP00058;NCGC00093572-01;NCGC00260743-01;AS-58773;LS-18622;SMR000326680;CS-0199449;EU-0100058;FT-0635956;A 5626;A-1680;E78561;A868963;SR-01000075669;2-(Acetylthio)-N,N,N-trimethylethanaminiumchloride;SR-01000075669-1

Chemical Property of Acetylthiocholine chloride

Chemical Property:

• PSA: 42.37000
• LogP: -2.02370
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Water (Slightly, Heated, Sonicated)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 197.0641130
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

98%,99%, ^*data from raw suppliers

Acetylthiocholine chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)SCC[N+](C)(C)C.[Cl-]
• Uses: Acetylthiocholine chloride has been used to determine the acetylcholine esterase activity of semen exosomes (SE). It has also been used as a substrate for acetylcholine esterase in microcalorimetric study of its kinetic parameters.

Technology Process of Acetylthiocholine chloride

There total 1 articles about Acetylthiocholine chloride 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:

2-chloroethane thioacetate (55847-36-4) + trimethylamine (75-50-3) → S-acetylthiocholine chloride (6050-81-3)

Guidance literature:

Reference yield:

S-acetylthiocholine chloride (6050-81-3) → 2-mercaptoethyl-N,N,N-trimethylammonium chloride (37880-96-9) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With acetylcholinesterase; In water; at 37 ℃; for 0.333333h;

DOI:10.1016/j.ijms.2013.05.011

Reference yield:

S-acetylthiocholine chloride (6050-81-3) → thiocholine (625-00-3)

Guidance literature:

With acetylcholine esterase from electric eel; BW₂₈₄c51; water; at 37 ℃; for 2h; pH=8; aq. buffer; Enzymatic reaction;

DOI:10.1002/chem.200900498

upstream raw materials:

2-chloroethane thioacetate

trimethylamine

Downstream raw materials:

thiocholine

2-mercaptoethyl-N,N,N-trimethylammonium chloride

acetic acid