4-Chloro-6-(tributylstannyl)thieno[3,2-d]pyrimidine - Reagent grade , CAS No.875339-90-5

CAS: 875339-90-5 Cat. No.: C479613 Peso molecular: 459.65

GRADE & PURITY Reagent Grade

Synonyms

tributyl-(4-chlorothieno[3,2-d]pyrimidin-6-yl)stannane | XVCDIZWEKFUGJW-UHFFFAOYSA-N | 4-Chloro-6-(tributylstannyl)-thieno[3,2-d]pyrimidine | 4-chloro-6-(tributylstannyl)thieno[3,2-d]pyrimidine | AKOS015950311 | 4-Chloro-6-(tributylstannyl)thieno[3,2-d]py

Storage

Room temperature

Specifications

Sinónimos

tributyl-(4-chlorothieno[3, 2-d]pyrimidin-6-yl)stannane | XVCDIZWEKFUGJW-UHFFFAOYSA-N | 4-Chloro-6-(tributylstannyl)-thieno[3, 2-d]pyrimidine | 4-chloro-6-(tributylstannyl)thieno[3, 2-d]pyrimidine | AKOS015950311 | 4-Chloro-6-(tributylstannyl)thieno[3, 2-d]py

Especificaciones y pureza

Reagent grade

Información jurídica

Product of Synthonix

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Reagent Grade

Nombres e identificadores

• Sonrisas canónicas: CCCC[Sn](CCCC)(CCCC)C1=CC2=C(S1)C(=NC=N2)Cl
• IUPAC Name: tributyl-(4-chlorothieno[3,2-d]pyrimidin-6-yl)stannane
• InChIKey: XVCDIZWEKFUGJW-UHFFFAOYSA-N
• INCHI: 1S/C6H2ClN2S.3C4H9.Sn/c7-6-5-4(1-2-10-5)8-3-9-6;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3
• Isómeros SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC2=C(S1)C(=NC=N2)Cl
• Peso molecular: 459.65
• Reaxy-Rn: 14505686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14505686&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 Metal aryls Aryl chlorides Heteroaromatic compounds Trialkyltins Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyrimidine - 2,3,5-trisubstituted thiophene - Halopyrimidine - Aryl chloride - Metal aryl - Aryl halide - Pyrimidine - Heteroaromatic compound - Thiophene - Trialkyltin - Azacycle - Organonitrogen compound - Organometallic compound - Organochloride - Organic post-transition metal moeity - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organotin 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

Propiedades químicas y físicas

• Peso molecular: 459.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 460.076 Da
• Monoisotopic Mass: 460.076 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 323.000
• 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

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