Benzoylthiocholine Iodide - ≥98% , CAS No.10561-14-5

CAS: 10561-14-5 Cat. No.: B152178 Peso molecular: 351.25 PubChem CID: 13960252

GRADE & PURITY ≥98%

Synonyms

HY-W127669 | MFCD00059970 | J-001455 | 2-benzoylsulfanylethyl(trimethyl)azanium;iodide | 2-(Benzoylsulfanyl)-N,N,N-trimethylethan-1-aminium iodide | AS-68422 | AKOS015833234 | FT-0752717 | Benzoylthiocholine Iodide | DTXSID60553325 | B0307 | SCHEMBL235687

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

HY-W127669 | MFCD00059970 | J-001455 | 2-benzoylsulfanylethyl(trimethyl)azanium;iodide | 2-(Benzoylsulfanyl)-N, N, N-trimethylethan-1-aminium iodide | AS-68422 | AKOS015833234 | FT-0752717 | Benzoylthiocholine Iodide | DTXSID60553325 | B0307 | SCHEMBL235687

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C[N+](C)(C)CCSC(=O)C1=CC=CC=C1.[I-]
• IUPAC Name: 2-benzoylsulfanylethyl(trimethyl)azanium;iodide
• InChIKey: PCGVSJGEHWZOBK-UHFFFAOYSA-M
• INCHI: 1S/C12H18NOS.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1
• Isómeros SMILES: C[N+](C)(C)CCSC(=O)C1=CC=CC=C1.[I-]
• PubChem CID: 13960252
• Peso molecular: 351.25
• Reaxy-Rn: 3919520

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Thiobenzoic acids and derivatives Benzoyl derivatives Tetraalkylammonium salts Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organooxygen compounds Organic oxides Organic iodide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Tetraalkylammonium salt - Quaternary ammonium salt - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Sulfenyl compound - Amine - Organic nitrogen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
• 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: almost transparency
• Sensibilidad: Light and moisture sensitive
• Peso molecular: 351.250 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 351.015 Da
• Monoisotopic Mass: 351.015 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 204.000
• 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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