(2-Bromo-4-methylthiazol-5-yl)methanol - ≥97% , CAS No.933782-03-7

CAS: 933782-03-7 Cat. No.: B480089 Peso molecular: 208.08 Número EC: 855-599-9

GRADE & PURITY ≥97%

Synonyms

E76577 | BS-50892 | (2-bromo-4-methyl-1,3-thiazol-5-yl)methanol | SCHEMBL2244526 | (2-Bromo-4-methyl-thiazol-5-yl)-methanol | (2-Bromo-4-methylthiazol-5-yl)methanol | EN300-3253291 | XLVPVZKGRKXLIA-UHFFFAOYSA-N | (2-Bromo-4-methylthiazol-5-yl)methanol, Al

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

E76577 | BS-50892 | (2-bromo-4-methyl-1, 3-thiazol-5-yl)methanol | SCHEMBL2244526 | (2-Bromo-4-methyl-thiazol-5-yl)-methanol | (2-Bromo-4-methylthiazol-5-yl)methanol | EN300-3253291 | XLVPVZKGRKXLIA-UHFFFAOYSA-N | (2-Bromo-4-methylthiazol-5-yl)methanol, Al

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Pubchem Sid: 488201977
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201977
• Sonrisas canónicas: CC1=C(SC(=N1)Br)CO
• IUPAC Name: (2-bromo-4-methyl-1,3-thiazol-5-yl)methanol
• InChIKey: XLVPVZKGRKXLIA-UHFFFAOYSA-N
• INCHI: 1S/C5H6BrNOS/c1-3-4(2-8)9-5(6)7-3/h8H,2H2,1H3
• Isómeros SMILES: CC1=C(SC(=N1)Br)CO
• Peso molecular: 208.08
• Reaxy-Rn: 15640523
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15640523&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 bromides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic nitrogen 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: 208.080 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 206.935 Da
• Monoisotopic Mass: 206.935 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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