5-Chlorobenzo[d]thiazole - ≥97% , CAS No.2786-51-8

CAS: 2786-51-8 Cat. No.: C192496 Fórmula: C₇H₄ClNS Peso molecular: 169.635

GRADE & PURITY ≥97%

Synonyms

MFCD00227392 | 5-Chlorobenzo[d]thiazole | CXMPSODIUMSALT | FT-0688526 | 5-CHLOROBENZOTHIAZOLE | DTXSID60559706 | A819221 | SCHEMBL584449 | AB04988 | AKOS006272200 | BENZOTHIAZOLE, 5-CHLORO- | YTSFYTDPSSFCLU-UHFFFAOYSA-N | 2-ETHOXY-5-(4-FLUORO-BENZOYLAMINO

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

MFCD00227392 | 5-Chlorobenzo[d]thiazole | CXMPSODIUMSALT | FT-0688526 | 5-CHLOROBENZOTHIAZOLE | DTXSID60559706 | A819221 | SCHEMBL584449 | AB04988 | AKOS006272200 | BENZOTHIAZOLE, 5-CHLORO- | YTSFYTDPSSFCLU-UHFFFAOYSA-N | 2-ETHOXY-5-(4-FLUORO-BENZOYLAMINO

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488198648
• Sorrisos canónicos: C1=CC2=C(C=C1Cl)N=CS2
• IUPAC Name: 5-chloro-1,3-benzothiazole
• InChIKey: YTSFYTDPSSFCLU-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
• SMILES isoméricas: C1=CC2=C(C=C1Cl)N=CS2
• Peso molecular: 169.635
• Reaxy-Rn: 116914
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116914&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 chlorides Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - 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): 105-107°C
• Peso molecular: 169.630 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.975 Da
• Monoisotopic Mass: 168.975 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

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2786-51-8, the molecular formula is C7H4ClNS, and the molecular weight is 169.635 g/mol. InChIKey YTSFYTDPSSFCLU-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.