7-chloro-2-(methylsulfanyl)pyrido[2,3-d]pyrimidine - ≥97% , CAS No.352328-41-7

CAS: 352328-41-7 Cat. No.: C633681 Peso molecular: 211.67 PubChem CID: 22134673

GRADE & PURITY ≥97%

Synonyms

7-chloro-2-(methylthio)pyrido[2,3-d]pyrimidine | 352328-41-7 | 7-CHLORO-2-(METHYLSULFANYL)PYRIDO[2,3-D]PYRIMIDINE | 7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine | SCHEMBL6073584 | CPA32841 | MFCD18072556 | SB11271 | WS-02557 | P12205 | 7-Chloro-2-meth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

7-chloro-2-(methylthio)pyrido[2, 3-d]pyrimidine | 352328-41-7 | 7-CHLORO-2-(METHYLSULFANYL)PYRIDO[2, 3-D]PYRIMIDINE | 7-chloro-2-methylsulfanylpyrido[2, 3-d]pyrimidine | SCHEMBL6073584 | CPA32841 | MFCD18072556 | SB11271 | WS-02557 | P12205 | 7-Chloro-2-meth

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CSC1=NC=C2C=CC(=NC2=N1)Cl
• IUPAC Name: 7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine
• InChIKey: UNAVSLNMFZKAMD-UHFFFAOYSA-N
• INCHI: 1S/C8H6ClN3S/c1-13-8-10-4-5-2-3-6(9)11-7(5)12-8/h2-4H,1H3
• Isómeros SMILES: CSC1=NC=C2C=CC(=NC2=N1)Cl
• PubChem CID: 22134673
• Peso molecular: 211.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridopyrimidines
      • Subclass Pyrido[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridopyrimidines
• Subclass: Pyrido[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrido[2,3-d]pyrimidines
• Alternative Parents: Alkylarylthioethers 2-halopyridines Pyrimidines and pyrimidine derivatives Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido[2,3-d]pyrimidine - Aryl thioether - 2-halopyridine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
• 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: 211.670 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 210.997 Da
• Monoisotopic Mass: 210.997 Da
• Topological Polar Surface Area: 64.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 181.000
• 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