Ethanaminium,N,N,N-trimethyl-2-[(1-oxopropyl)thio]-, iodide (1:1) supplier

Name
PROPIONYLTHIOCHOLINE IODIDE
EINECS 217-482-5
CAS No. 1866-73-5
Article Data2
CAS DataBase
Density 1.4391 (estimate)
Solubility Soluble in water (15 mg/ml-clear solution)
Melting Point 200-202 °C(lit.)
Formula C₈H₁₈INOS
Boiling Point
Molecular Weight 303.208
Flash Point
Transport Information
Appearance white to very light yellow crystalline powder
Safety 26-36
Risk Codes 36/37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms (2-Mercaptoethyl)trimethylammoniumiodide, propionate (6CI,7CI);Ammonium, (2-mercaptoethyl)trimethyl-, iodide,propionate (8CI);Ethanaminium, N,N,N-trimethyl-2-[(1-oxopropyl)thio]-, iodide(9CI);Propionic acid, thio-, S-ester with (2-mercaptoethyl)trimethylammoniumiodide (8CI);Propionylthiocholine iodide;
PSA 42.37000
LogP -1.63360

Ethanaminium,N,N,N-trimethyl-2-[(1-oxopropyl)thio]-, iodide (1:1) Specification

The Ethanaminium,N,N,N-trimethyl-2-[(1-oxopropyl)thio]-, iodide (1:1), with the CAS registry number 1866-73-5, is also known as (2-Mercaptoethyl)trimethylammonium iodide propionate. Its EINECS registry number is 217-482-5. This chemical's molecular formula is C₈H₁₈INOS and molecular weight is 303.2. Its IUPAC name is called trimethyl(2-propanoylsulfanylethyl)azanium iodide.

Physical properties of Ethanaminium,N,N,N-trimethyl-2-[(1-oxopropyl)thio]-, iodide (1:1): (1)ACD/LogP: -2.14; (2)ACD/LogD (pH 5.5): -2.14; (3)ACD/LogD (pH 7.4): -2.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.63; (7)ACD/KOC (pH 7.4): 1.63; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 42.37 Å².

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=O)SCC[N+](C)(C)C.[I-]
(2)InChI: InChI=1S/C8H18NOS.HI/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: BJQIXLJDWWVGAE-UHFFFAOYSA-M

Product Name

PROPIONYLTHIOCHOLINE IODIDE

Ethanaminium,N,N,N-trimethyl-2-[(1-oxopropyl)thio]-, iodide (1:1) Specification

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