GRADE & PURITY ≥98%

Synonyms

Z48850646 | MFCD00098207 | 4-(4-Bromophenyl)-2-methyl-1,3-thiazole, AldrichCPR | BBL020356 | 4-(4-Bromophenyl)-2-methylthiazole | FT-0641044 | J-513462 | STK891749 | 4-(4-Bromophenyl)-2-methyl-1,3-thiazole # | LS-07628 | DTXSID60347327 | AKOS000122252 | E

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z48850646 | MFCD00098207 | 4-(4-Bromophenyl)-2-methyl-1, 3-thiazole, AldrichCPR | BBL020356 | 4-(4-Bromophenyl)-2-methylthiazole | FT-0641044 | J-513462 | STK891749 | 4-(4-Bromophenyl)-2-methyl-1, 3-thiazole # | LS-07628 | DTXSID60347327 | AKOS000122252 | E

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=NC(=CS1)C2=CC=C(C=C2)Br
• IUPAC Name: 4-(4-bromophenyl)-2-methyl-1,3-thiazole
• InChIKey: OHDZDHHETRGNRY-UHFFFAOYSA-N
• INCHI: 1S/C10H8BrNS/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3
• Isómeros SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)Br
• Peso molecular: 254.1
• Reaxy-Rn: 143963
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143963&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-disubstituted thiazoles
• Alternative Parents: Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organobromide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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: 254.150 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 252.956 Da
• Monoisotopic Mass: 252.956 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 168.000
• 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