2-Bromo-5H-thieno[3,2-c]pyridin-4-one - ≥97% , CAS No.28948-60-9

CAS: 28948-60-9 Cat. No.: B680396 Peso molecular: 230.08 Número EC: 127-290-2 PubChem CID: 12875893

GRADE & PURITY ≥97%

Synonyms

2-Bromothieno[3,2-c]pyridin-4-ol | 2-Bromothieno[3,2-c]pyridin-4(5H)-one | 2-Bromothieno[3,2-c]pyridin-4(5H)-one

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

2-Bromothieno[3, 2-c]pyridin-4-ol | 2-Bromothieno[3, 2-c]pyridin-4(5H)-one | 2-Bromothieno[3, 2-c]pyridin-4(5H)-one

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CNC(=O)C2=C1SC(=C2)Br
• IUPAC Name: 2-bromo-5H-thieno[3,2-c]pyridin-4-one
• InChIKey: ZDUWCUXIWRAXLF-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrNOS/c8-6-3-4-5(11-6)1-2-9-7(4)10/h1-3H,(H,9,10)
• Isómeros SMILES: C1=CNC(=O)C2=C1SC(=C2)Br
• PubChem CID: 12875893
• Peso molecular: 230.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thienopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thienopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyridines
• Alternative Parents: 2,3,5-trisubstituted thiophenes Pyridinones Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - 2,3,5-trisubstituted thiophene - Pyridinone - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

• Sensibilidad: Light sensitive
• Peso molecular: 230.080 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 228.92 Da
• Monoisotopic Mass: 228.92 Da
• Topological Polar Surface Area: 57.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 218.000
• 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: 1