Thiocholine

HCID 37851CAS 625-00-3

Grundinformationen

Standard-SMILES
C[N+](C)(C)CCS
InChIKey
VFUGTBZQGUVGEX-UHFFFAOYSA-O
Summenformel
C5H14NS+
Durchschnittliche Molmasse
120,24 g/mol
Monoisotopische Masse
120,08414687

Überblick

A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain.

Namen und Bezeichner

Bevorzugter Name
Thiocholine
IUPAC
trimethyl(2-sulfanylethyl)azanium

Namen und Synonyme

THIOCHOLINE625-00-3DTXSID50978088RefChem:189446DTXCID501330669Ethanaminium, 2-mercapto-N,N,N-trimethyl-trimethyl(2-sulfanylethyl)azanium2-(TRIMETHYLAMMONIUM)ETHYL THIOLCHEMBL136145VFUGTBZQGUVGEX-UHFFFAOYSA-ON,N,N-TrimethylcysteamineAC55E7DP9S
Weitere Namen anzeigen
SCHEMBL135464(2-mercaptoethyl)trimethylammoniumBDBM50055164AKOS0221221172-Mercapto-N,N,N-trimethylethanaminiumDB01803N,N,N-trimethyl-2-sulfanylethanaminiumPD008414

Datenbank-Bezeichner

CAS
625-00-3
PubChem CID
37851
DTXSID
DTXSID50978088
ChEMBL
CHEMBL136145、CHEMBL147699
UNII
AC55E7DP9S
Nikkaji
J221.587J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

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