Thiazolium，3-(2-hydroxyethyl)-， bromide (1:1) - ≥95% , CAS No.103768-99-6

CAS: 103768-99-6 Cat. No.: T769457 Peso molecular: 210.0921

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CSC=[N+]1CCO.[Br-]
• InChIKey: RZANVUAQQTZJHP-UHFFFAOYSA-M
• INCHI: 1S/C5H8NOS.BrH/c7-3-1-6-2-4-8-5-6;/h2,4-5,7H,1,3H2;1H/q+1;/p-1
• Isómeros SMILES: C1=CSC=[N+]1CCO.[Br-]
• Peso molecular: 210.0921

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiazole - Azacycle - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.
• 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

• Punto de fusión (°C): 147-149 °C
• Peso molecular: 210.090 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 208.951 Da
• Monoisotopic Mass: 208.951 Da
• Topological Polar Surface Area: 52.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 69.400
• 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

XLogP3