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thiocholine iodide - ≥95%, high purity , CAS No.7161-73-1

COA

Grade & Purity:

≥95%

Cas Number: 7161-73-1
Molecular Weight: 247.14
PubChem CID: 3014543

In stock

Item Number

T304468

Grouped product items
SKU	Size	Availability	Price	Qty
T304468-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$143.90
T304468-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$479.90

Basic Description

Synonyms	7161-73-1 \| THIOCHOLINE IODIDE \| (2-Mercaptoethyl)trimethylammonium iodide \| Ethanaminium,2-mercapto-N,N,N-trimethyl-, iodide (1:1) \| trimethyl(2-sulfanylethyl)azanium;iodide \| 2-Mercapto-N,N,N-trimethylethan-1-aminium iodide \| CHEMBL147699 \| EINECS 230-513-7 \| Ethanamin
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Quaternary ammonium salts

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Quaternary ammonium salts
Intermediate Tree Nodes	Not available
Direct Parent	Tetraalkylammonium salts
Alternative Parents	Alkylthiols Organic iodide salts Hydrocarbon derivatives Amines Organic cations
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tetraalkylammonium salt - Alkylthiol - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organosulfur compound - Amine - Organic cation - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	trimethyl(2-sulfanylethyl)azanium;iodide
INCHI	InChI=1S/C5H13NS.HI/c1-6(2,3)4-5-7;/h4-5H2,1-3H3;1H
InChIKey	CTGNYPVJSIRPLG-UHFFFAOYSA-N
Smiles	C[N+](C)(C)CCS.[I-]
Isomeric SMILES	C[N+](C)(C)CCS.[I-]
PubChem CID	3014543
Molecular Weight	247.14

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	247.140 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	246.989 Da
Monoisotopic Mass	246.989 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	46.500
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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