Acetylthiocholine iodide - ≥98% , CAS No.1866-15-5

CAS: 1866-15-5 Cat. No.: A100869 Fórmula: C₇H₁₆INOS Peso molecular: 289.18 Beilstein Registry Number: 3916578 Número EC: 217-474-1

GRADE & PURITY ≥98%

Synonyms

SY022189 | NSC 44139 | PEG-5 Lauryl ether | 2-acetylsulfanylethyl(trimethyl)azanium;iodide | S-Acetylthiocholine iodide | ((2-Mercaptoethyl)trimethylammonium iodide acetate) | (2-Mercaptoethyl)trimethylammonium iodide, acetate | NTBLZMAMTZXLBP-UHFFFAOYSA-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Acetylthiocholine iodide is an AChE (acetylcholinesterase) substrate and AChR (nicotinic acetylcholine receptor)agonist.
A nAChR agonist and substrate of acetylcholinesterase

Specifications

Sinónimos

SY022189 | NSC 44139 | PEG-5 Lauryl ether | 2-acetylsulfanylethyl(trimethyl)azanium;iodide | S-Acetylthiocholine iodide | ((2-Mercaptoethyl)trimethylammonium iodide acetate) | (2-Mercaptoethyl)trimethylammonium iodide, acetate | NTBLZMAMTZXLBP-UHFFFAOYSA-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184955
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184955
• Sonrisas canónicas: CC(=O)SCC[N+](C)(C)C.[I-]
• IUPAC Name: 2-acetylsulfanylethyl(trimethyl)azanium;iodide
• InChIKey: NTBLZMAMTZXLBP-UHFFFAOYSA-M
• INCHI: 1S/C7H16NOS.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
• Isómeros SMILES: CC(=O)SCC[N+](C)(C)C.[I-]
• WGK Alemania: 3
• RTECS: FZ9865000
• CAS alternativo: 4468-05-7
• Número ONU: 2811
• Peso molecular: 289.18
• Beilstein: 3916578
• Reaxy-Rn: 3916578

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic iodide salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Sulfenyl compound - Amine - Organic iodide salt - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: 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

Data sources

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

Propiedades químicas y físicas

• Solubilidad: Soluble in water,
• Sensibilidad: Moisture,Light and Heat sensitive
• Punto de fusión (°C): 205-210°C
• Peso molecular: 289.180 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 289 Da
• Monoisotopic Mass: 289 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 117.000
• 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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