2-(Acetylsulfanyl)-N,N,N-trimethylethanaminium iodide

Basic Information

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CAS Number

1866-15-5

Molecular Formula

C7H16INOS

Molecular Weight

289.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

205-210 °C

Boiling Point

°Cat760mmHg

Solubility

H2O: 100 mg/mL

SMILES

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CC(=O)SCC[N+](C)(C)C.[I-]

InChI

InChI=1S/C7H16NOS.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1

InChIKey

NTBLZMAMTZXLBP-UHFFFAOYSA-M

LogP

-2.02370

Complexity

117

Safety Information

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GHS Hazard Pictograms

H301

H311

H315

H319

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Light Sensitive & Hygroscopic

Synonyms & References

English

Acetylthiocholine (iodide)
2-(Acetylthio)-N,N,N-trimethylethanaminium iodide
(2-Mercaptoethyl)trimethylammonium iodide acetate
S-Acetylthiocholine iodide
FT-0600351
HY-D0904
2-(Acetylthio)-N,N,N-trimethylethan-1-aminium iodide
AMY27039
6SKH6P4YRN
Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1:1)
Acetylthiocholine iodide
CS-D1378
AKOS015904269
S-[2-(trimethyl-.lambda.5-azanyl)ethyl] ethanethioate hydroiodide
1866-15-5
UNII-6SKH6P4YRN
GS-3419
[2-(acetylsulfanyl)ethyl]trimethylazanium iodide
[(2-Mercaptoethyl)trimethylammonium iodide acetate]
Acetylthiocholine diiodide
NSC 44139
DTXSID50883764
SY022189
C7H16INOS
Choline, S-acetylthio-, iodide
NTBLZMAMTZXLBP-UHFFFAOYSA-M
A852082
NSC44139
NSC-44139
2-(acetylsulfanyl)-n,n,n-trimethylethanaminium iodide
A0116

MDL Number

MFCD00011819

Customs Code

2930909090

FAQ

What is 2-(Acetylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-15-5)?

2-(Acetylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-15-5) is a thioether-containing organic compound with the molecular formula C5H12INO2S. It is a crystalline solid, typically soluble in water, and serves as a key intermediate in chemical synthesis due to its sulfide functionality and ionic structure.

What are the main uses of 2-(Acetylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-15-5)?

This compound is primarily used in pharmaceutical research for developing sulfide-based drugs, in organic synthesis as a reagent for creating thioether derivatives, and in industrial applications for chemical intermediates. It is also utilized in laboratory settings for functional group manipulations and reaction studies.

Is 2-(Acetylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-15-5) safe?

2-(Acetylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-15-5) is generally safe when handled properly. However, it may cause skin or eye irritation and is harmful if inhaled. Safety precautions include wearing gloves, goggles, and a lab coat, and working in a well-ventilated area. Always follow OSHA guidelines for chemical exposure.

How should 2-(Acetylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-15-5) be stored?

Store 2-(Acetylsulfanyl)-N,N,N-trimethylethanaminium iodide (CAS: 1866-15-5) in a cool, dry place, away from light. Use a sealed, airtight container to prevent moisture absorption. Maintain storage conditions below 25°C and ensure it is kept in a chemically inert environment to preserve stability and prevent degradation.