4-Chloro-6-methyl-2-(methylthio)pyrimidine - ≥98%(GC) , CAS No.17119-73-2

CAS: 17119-73-2 Cat. No.: C153536 Peso molecular: 174.65 Número EC: 634-115-8

GRADE & PURITY ≥98%(GC)

Synonyms

AE-641/00669063 | BB 0240278 | ALMBOXQFPLQVLF-UHFFFAOYSA-N | GS-5786 | SB11779 | 4,6-dichloro-2-(methylthio)pyrimidine;4-Chloro-6-methyl-2-(methylthio)pyrimidine | SY034286 | F3284-7954 | BCP25607 | 4-Chloro-6-methyl-2-methylsulfanyl-pyrimidin e | OM-805

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AE-641/00669063 | BB 0240278 | ALMBOXQFPLQVLF-UHFFFAOYSA-N | GS-5786 | SB11779 | 4, 6-dichloro-2-(methylthio)pyrimidine;4-Chloro-6-methyl-2-(methylthio)pyrimidine | SY034286 | F3284-7954 | BCP25607 | 4-Chloro-6-methyl-2-methylsulfanyl-pyrimidin e | OM-805

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, 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

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504758047
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758047
• Sonrisas canónicas: CC1=CC(=NC(=N1)SC)Cl
• IUPAC Name: 4-chloro-6-methyl-2-methylsulfanylpyrimidine
• InChIKey: ALMBOXQFPLQVLF-UHFFFAOYSA-N
• INCHI: 1S/C6H7ClN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
• Isómeros SMILES: CC1=CC(=NC(=N1)SC)Cl
• Peso molecular: 174.65
• Reaxy-Rn: 121028
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121028&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Halopyrimidines Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air sensitive
• Punto de inflamación (°C): 115 °C
• Punto de ebullición (°C): 147°C/32mmHg
• Punto de fusión (°C): 34-37℃
• Peso molecular: 174.650 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.002 Da
• Monoisotopic Mass: 174.002 Da
• Topological Polar Surface Area: 51.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 112.000
• 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