S-Butyrylthiocholine Iodide Chemical Properties

Melting point:

171-174 °C(lit.)

Density 

1.3969 (estimate)

storage temp. 

-20°C

form 

Crystals or Crystalline Powder

color 

White

Water Solubility 

almost transparency

Sensitive 

Air & Moisture Sensitive & Hygroscopic

BRN 

3729509

InChI

InChI=1S/C9H20NOS.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1

InChIKey

WEQAAFZDJROSBF-UHFFFAOYSA-M

SMILES

C(CSC(=O)CCC)[N+](C)(C)C.[I-]

CAS DataBase Reference

1866-16-6(CAS DataBase Reference)

EPA Substance Registry System

Ethanaminium, N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, iodide (1866-16-6)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

F 

1-8-10-13

TSCA 

Yes

HS Code 

29309090

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

S-Butyrylthiocholine Iodide Usage And Synthesis

Chemical Properties

WHITE CRYSTALS OR CRYSTALLINE POWDER

Uses

A chromogenic substrate for cholinesterases.

Uses

S-Butyrylthiocholine Iodide is a chromogenic substrate for AChE(cholinesterases) and BChE(cholinesterases). Cleavage is measured colorimetrically at 405 nm.

Synthesis

Ethyl S-2-(dimethylamino)butyryl thiolate was dissolved in THF 3L. Under nitrogen protection, methyl iodide was added dropwise, and the process was maintained at an internal temperature of 20-30 °C. After the completion of the dropwise addition, the reaction was allowed to stand overnight at room temperature. TLC showed the reaction was complete. Filtered, washed with THF, and dried under reduced pressure at 30 ° C to give a white solidS-iodinated butyrylthiocholine.

Purification Methods

Recrystallise S-butyryl thiocholine iodide from propan-1-ol and dry it in vacuo; store it in the dark under N2. The bromide has m 150o (from Me2CO) or m 140-143o (from butan-1-ol). [Gillis Chem Ind (London) 111 1957, Hansen Acta Chem Scand 11 537 1957, Beilstein 4 IV 1586.]

S-Butyrylthiocholine Iodide(1866-16-6)Related Product Information

• ACETYLTHIOCHOLINE IODIDE
• THIOPROPIONIC ACID
• N-BUTYL ETHYL SULFIDE
• 2-(DIMETHYLAMINO)ETHANETHIOL
• METHYL THIOPROPIONATE
• S-METHYL THIOACETATE
• PROPIONYLTHIOCHOLINE IODIDE
• ethyl ethanethioate
• 2-(ETHYLTHIO)ETHYLAMINE
• Methyl thiobutyrate
• Thioacetic acid
• Tetramethylammonium iodide
• S-ETHYL THIOPROPIONATE
• ETHYLTRIMETHYLAMMONIUM IODIDE
• Ammonium iodide
• DL-BUTHIONINE-[S,R]-SULFOXIMINE
• CHOLINE IODIDE
• PHOSPHONIUM IODIDE