1-(2-Bromo-4-methylthiazol-5-yl)ethan-1-one - ≥98% , CAS No.1093106-54-7

CAS: 1093106-54-7 Cat. No.: B573567 Peso molecular: 220.09

GRADE & PURITY ≥98%

Synonyms

1-(2-bromo-4-methyl-5-thiazolyl)ethanone | AKOS022394027 | DTXSID00735502 | 1-(2-Bromo-4-methylthiazol-5-yl)ethan-1-one | SCHEMBL289401 | 1-(2-Bromo-4-methyl-1,3-thiazol-5-yl)ethan-1-one | RZEIEXBCYWPGCZ-UHFFFAOYSA-N | 1093106-54-7 | 1-(2-BROMO-4-METHYLTH

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1-(2-bromo-4-methyl-5-thiazolyl)ethanone | AKOS022394027 | DTXSID00735502 | 1-(2-Bromo-4-methylthiazol-5-yl)ethan-1-one | SCHEMBL289401 | 1-(2-Bromo-4-methyl-1, 3-thiazol-5-yl)ethan-1-one | RZEIEXBCYWPGCZ-UHFFFAOYSA-N | 1093106-54-7 | 1-(2-BROMO-4-METHYLTH

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, 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

• Pubchem Sid: 504771850
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771850
• Sonrisas canónicas: CC1=C(SC(=N1)Br)C(=O)C
• IUPAC Name: 1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
• InChIKey: RZEIEXBCYWPGCZ-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrNOS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3
• Isómeros SMILES: CC1=C(SC(=N1)Br)C(=O)C
• Peso molecular: 220.09
• Reaxy-Rn: 20798020
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20798020&ln=

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: 2,4,5-trisubstituted thiazoles
• Alternative Parents: Aryl alkyl ketones Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Aryl alkyl ketone - Aryl bromide - Aryl halide - Heteroaromatic compound - Ketone - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
• 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

• Peso molecular: 220.090 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 218.935 Da
• Monoisotopic Mass: 218.935 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 153.000
• 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