5-Bromobenzothiazole - ≥98% , CAS No.768-11-6

CAS: 768-11-6 Cat. No.: B186512 Fórmula: C₇H₄BrNS Peso molecular: 214.1 Número CE: 805-001-7

GRAU & PUREZA ≥98%

Synonyms

5-bromanyl-1,3-benzothiazole|Benzothiazole, 5-bromo-|5-bromo-1,3-benzothiazole|5-BROMOBENZO[D]THIAZOLE|5-bromobenzothiazole|5-bromo-benzothiazole

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

5-bromanyl-1,3-benzothiazole | Benzothiazole, 5-bromo- | 5-bromo-1,3-benzothiazole | 5-BROMOBENZO[D]THIAZOLE | 5-bromobenzothiazole | 5-bromo-benzothiazole

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504762630

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762630

Sorrisos canónicos

C1=CC2=C(C=C1Br)N=CS2

IUPAC Name

5-bromo-1,3-benzothiazole

InChIKey

KFDDRUWQFQJGNL-UHFFFAOYSA-N

INCHI

1S/C7H4BrNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H

SMILES isoméricas

C1=CC2=C(C=C1Br)N=CS2

WGK Alemanha

3

Peso molecular

214.1

Reaxy-Rn

1210223

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210223&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Aryl bromides Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

• Ponto de fusão (°C): 105-110 °C
• Peso molecular: 214.080 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 212.925 Da
• Monoisotopic Mass: 212.925 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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

How should this product be stored?

Store at room temperature.

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 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 768-11-6, the molecular formula is C7H4BrNS, and the molecular weight is 214.1 g/mol. InChIKey KFDDRUWQFQJGNL-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.