4-(3-Bromophenyl)-2-methylthiazole - ≥98% , CAS No.342405-21-4

CAS: 342405-21-4 Cat. No.: B183847 Fórmula: C₁₀H₈BrNS Peso molecular: 254.1

GRADE & PURITY ≥98%

Synonyms

VANADIUMIODIDE | MFCD02681947 | 4-(3-Bromophenyl)-2-methylthiazole | PS-11554 | F2158-1139 | FT-0616578 | 4-(3-bromophenyl)-2-methyl-1,3-thiazole, AldrichCPR | J-513364 | DTXSID10380128 | SCHEMBL4821852 | AKOS003104276 | EN300-79250 | 4-(3-bromophenyl)-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

VANADIUMIODIDE | MFCD02681947 | 4-(3-Bromophenyl)-2-methylthiazole | PS-11554 | F2158-1139 | FT-0616578 | 4-(3-bromophenyl)-2-methyl-1,3-thiazole, AldrichCPR | J-513364 | DTXSID10380128 | SCHEMBL4821852 | AKOS003104276 | EN300-79250 | 4-(3-bromophenyl)-2-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CC1=NC(=CS1)C2=CC(=CC=C2)Br

IUPAC Name

4-(3-bromophenyl)-2-methyl-1,3-thiazole

InChIKey

GVHUQXQVSWGYSH-UHFFFAOYSA-N

INCHI

1S/C10H8BrNS/c1-7-12-10(6-13-7)8-3-2-4-9(11)5-8/h2-6H,1H3

SMILES isoméricas

CC1=NC(=CS1)C2=CC(=CC=C2)Br

Peso molecular

254.1

Reaxy-Rn

20162577

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20162577&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e 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: 176.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 342405-21-4, the molecular formula is C10H8BrNS, and the molecular weight is 254.1 g/mol. InChIKey GVHUQXQVSWGYSH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.