Acetylthiocholine Chloride

HCID 22411CAS 6050-81-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)SCC[N+](C)(C)C.[Cl-]
InChIKey
GZYVLKKMMDFCKR-UHFFFAOYSA-M
Molecular formula
C7H16ClNOS
Average molar mass
197.73 g/mol
Monoisotopic mass
197.06411281

Names & identifiers

Preferred name
Acetylthiocholine Chloride
IUPAC
2-acetylsulfanylethyl(trimethyl)azanium chloride
English name
Acetylthiocholine chloride
Molecular formula
C7H16ClNOS
Molecular weight
197.72

Names & synonyms

Acetylthiocholine chloride6050-81-3EINECS 227-953-7AMMONIUM, (2-MERCAPTOETHYL)TRIMETHYL-, CHLORIDE, ACETATEs-Acetylthiocholine chlorideRefChem:109202GZYVLKKMMDFCKR-UHFFFAOYSA-M2-(Acetylthio)-N,N,N-trimethylethanaminium chloride[2-(acetylsulfanyl)ethyl]trimethylazanium chloride2-Acetylthioethyltrimethylammonium chlorideMFCD00038727(2-Mercaptoethyl)trimethylammonium chloride acetate
Show more names
THIOCHOLINE CHLORIDE ACETATEACETYLTHIOCHOLINE CHLORIDE,99%-N,N,N-trimethylethanaminium chloride[2-(ACETYLTHIO)ETHYL]TRIMETHYLAMMONIUM CHLORIDE2-acetylsulfanylethyl(trimethyl)azanium chlorideN-[2-(Acetylthio)ethyl]trimethylaminium·chloride(2-acetylthio)-n,n,n-trimethylethanaminumchloride2-ethanoylsulfanylethyl(trimethyl)azanium chloride
C7H16ClNOSEthanaminium, 2-(acetylthio)-N,N,N-trimethyl-, chloride(2-Acetylthio)-N,N,N-trimethylethanaminum chloride2-acetylsulfanylethyl(trimethyl)azanium;chloride2-acetylsulfanylethyl(trimethyl)azanium,chlorideMLS001056723orb2940632SCHEMBL1276372

Database identifiers

CAS
6050-81-3
PubChem CID
22411
DTXSID
DTXSID90975910
ChEMBL
CHEMBL1256181
EC Number
227-953-7

Properties

Computed structural properties

Topological polar surface area
42.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
11

Experimental & physicochemical properties

Solubility29.4 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
199 · 199-201°C
storage temp.
-20 °C · -20°C
solubility
DMSO (Slightly), Water (Slightly, Heated, Sonicated)
form
powder
color
White to Off-White
Water Solubility
100 mg/mL, · water: 100mg/mL, clear to slightly hazy, colorless

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Dam. 1 (100%)

Safety data

wgk
3
rtecs
BR6954000
hs_code
29309070
risk_code
36/37/38-41
Signal word
Danger
Symbol(GHS)
GHS05

Chemistry & industry

Applications

UsesAcetylthiocholine 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.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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