7-chloro-3-isopropyl-5-methylsulfanyl-1H-pyrazolo[4,3-d]pyrimidine - ≥97% , CAS No.1289139-31-6

CAS: 1289139-31-6 Cat. No.: C628109 Peso molecular: 242.73 PubChem CID: 52951986

GRADE & PURITY ≥97%

Synonyms

1289139-31-6 | 7-Chloro-3-isopropyl-5-(methylthio)-1H-pyrazolo[4,3-d]pyrimidine | 1H-Pyrazolo[4,3-d]pyrimidine, 7-chloro-3-(1-methylethyl)-5-(methylthio)- | 7-chloro-5-methylsulfanyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine | 7-Chloro-3-isopropyl-5-(met

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1289139-31-6 | 7-Chloro-3-isopropyl-5-(methylthio)-1H-pyrazolo[4, 3-d]pyrimidine | 1H-Pyrazolo[4, 3-d]pyrimidine, 7-chloro-3-(1-methylethyl)-5-(methylthio)- | 7-chloro-5-methylsulfanyl-3-propan-2-yl-2H-pyrazolo[4, 3-d]pyrimidine | 7-Chloro-3-isopropyl-5-(met

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

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: CC(C)C1=C2C(=NN1)C(=NC(=N2)SC)Cl
• IUPAC Name: 7-chloro-5-methylsulfanyl-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidine
• InChIKey: IJOOBOJXEIFQBG-UHFFFAOYSA-N
• INCHI: 1S/C9H11ClN4S/c1-4(2)5-6-7(14-13-5)8(10)12-9(11-6)15-3/h4H,1-3H3,(H,13,14)
• Isómeros SMILES: CC(C)C1=C2C(=NN1)C(=NC(=N2)SC)Cl
• PubChem CID: 52951986
• Peso molecular: 242.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrazolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrazolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolopyrimidines
• Alternative Parents: Halopyrimidines Alkylarylthioethers Aryl chlorides Pyrazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyrimidine - Aryl thioether - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring 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

• Sensibilidad: Moisture sensitive
• Peso molecular: 242.730 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 242.039 Da
• Monoisotopic Mass: 242.039 Da
• Topological Polar Surface Area: 79.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 228.000
• 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