6-Bromo-4-chlorothieno[2,3-d]pyrimidine - ≥97% , CAS No.56844-12-3

CAS: 56844-12-3 Cat. No.: B176817 Peso molecular: 249.51 Número EC: 873-782-1

GRADE & PURITY ≥97%

Synonyms

PB31368 | CMIXHHOZGMSYKN-UHFFFAOYSA-N | Z1269227433 | 6-Bromo-4-chlorothieno[2,3-d]pyrimidine, AldrichCPR | MFCD09264088 | AKOS015851124 | SC1191 | A831201 | DTXSID50481264 | J-518393 | Thieno[2,3-d]pyrimidine, 6-bromo-4-chloro- | 6-Bromo-4-chlorothieno[2

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

PB31368 | CMIXHHOZGMSYKN-UHFFFAOYSA-N | Z1269227433 | 6-Bromo-4-chlorothieno[2, 3-d]pyrimidine, AldrichCPR | MFCD09264088 | AKOS015851124 | SC1191 | A831201 | DTXSID50481264 | J-518393 | Thieno[2, 3-d]pyrimidine, 6-bromo-4-chloro- | 6-Bromo-4-chlorothieno[2

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=C(SC2=C1C(=NC=N2)Cl)Br
• IUPAC Name: 6-bromo-4-chlorothieno[2,3-d]pyrimidine
• InChIKey: CMIXHHOZGMSYKN-UHFFFAOYSA-N
• INCHI: 1S/C6H2BrClN2S/c7-4-1-3-5(8)9-2-10-6(3)11-4/h1-2H
• Isómeros SMILES: C1=C(SC2=C1C(=NC=N2)Cl)Br
• Peso molecular: 249.51
• Reaxy-Rn: 976066
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=976066&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thienopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrimidines
• Alternative Parents: 2,3,5-trisubstituted thiophenes Halopyrimidines Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyrimidine - 2,3,5-trisubstituted thiophene - Halopyrimidine - Pyrimidine - Aryl halide - Aryl chloride - Aryl bromide - Thiophene - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 249.520 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 247.881 Da
• Monoisotopic Mass: 247.881 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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