6-Bromobenzothiazole - ≥98% , CAS No.53218-26-1

CAS: 53218-26-1 Cat. No.: B135001 Fórmula: C₇H₄BrNS Peso molecular: 214.08 Número EC: 688-067-8

GRADE & PURITY ≥98%

Synonyms

FS-2687 | DTXSID60383563 | A7742 | AB19945 | 6-bromo-1,3-benzothiazole, AldrichCPR | SY019446 | AM20040643 | BP-10781 | SCHEMBL10543 | A829453 | EN300-314377 | 6-bromanyl-1,3-benzothiazole | J-518287 | InChI=1/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4 | 6-b

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FS-2687 | DTXSID60383563 | A7742 | AB19945 | 6-bromo-1,3-benzothiazole, AldrichCPR | SY019446 | AM20040643 | BP-10781 | SCHEMBL10543 | A829453 | EN300-314377 | 6-bromanyl-1,3-benzothiazole | J-518287 | InChI=1/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4 | 6-b

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504762157

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762157

Sonrisas canónicas

C1=CC2=C(C=C1Br)SC=N2

IUPAC Name

6-bromo-1,3-benzothiazole

InChIKey

YJOUISWKEOXIMC-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

C1=CC2=C(C=C1Br)SC=N2

Peso molecular

214.08

Reaxy-Rn

116383

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116383&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Aryl bromides Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen 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 - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• 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

Preguntas frecuentes

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 53218-26-1, the molecular formula is C7H4BrNS, and the molecular weight is 214.08 g/mol. InChIKey YJOUISWKEOXIMC-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.