2-Amino-6-bromobenzothiazole - ≥97%(T) , CAS No.15864-32-1

CAS: 15864-32-1 Cat. No.: A134312 Peso molecular: 229.10 Número EC: 629-076-9

GRADE & PURITY ≥97%(T)

Synonyms

6-Bromo-2-aminobenzothiazole | 6-bromobenzo[d]thiazol-2-amine | 6-bromo-1,3-benzothiazol-2-amine | 6-Bromo-benzothiazol-2-ylamine | 2-Benzothiazolamine, 6-bromo- | 6-Bromobenzothiazol-2-ylamine

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

Reaction of 4-bromoaniline with acetic acid and potassium thiocynate in solution of bromine in acetic acid yields 2-amino-6-bromobenzothiazole. 2-Amino-6-bromobenzothiazole can also be synthesized from 2-aminobenzothiazole via monobromination with silica-supported quinolinium tribromide.

Application：
2-Amino-6-bromobenzothiazole may be used in the synthesis of the following
2-amino-6-arylbenzothiazole compounds:
6-p-tolylbenzo[d]thiazole-2-amine
6-(4chlorophenyl)benzo[d]thiazole-2-amine
6-(4-methoxyphenyl)benzo[d]thiazole-2-amine
6-(3,5-bis(triflouromethyl)phenyl)benzo[d]thiazole-2-amine
6-phenylbenzo[d]thiazole-2-amine   

Specifications

Sinónimos

6-Bromo-2-aminobenzothiazole | 6-bromobenzo[d]thiazol-2-amine | 6-bromo-1, 3-benzothiazol-2-amine | 6-Bromo-benzothiazol-2-ylamine | 2-Benzothiazolamine, 6-bromo- | 6-Bromobenzothiazol-2-ylamine

Especificaciones y pureza

≥97%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%(T)

Nombres e identificadores

• Pubchem Sid: 488186301
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186301
• Sonrisas canónicas: C1=CC2=C(C=C1Br)SC(=N2)N
• IUPAC Name: 6-bromo-1,3-benzothiazol-2-amine
• InChIKey: VZEBSJIOUMDNLY-UHFFFAOYSA-N
• INCHI: 1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
• Isómeros SMILES: C1=CC2=C(C=C1Br)SC(=N2)N
• WGK Alemania: 3
• Peso molecular: 229.10
• Reaxy-Rn: 127766
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127766&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 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Aryl bromide - Aryl halide - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Primary amine - 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

Objetivos asociados (humanos)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: air sensitive
• Punto de fusión (°C): 214°C(lit.)
• Peso molecular: 229.100 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 227.936 Da
• Monoisotopic Mass: 227.936 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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