5-bromo-2-(metiltio)piridina - ≥97% , CAS No.51933-78-9

CAS: 51933-78-9 Cat. No.: B122969 Peso molecular: 204.09 Número EC: 623-523-1

GRADE & PURITY ≥97%

Synonyms

3-Bromo-6-methylsulfanyl-pyridine | AB14151 | 5-bromo-2-(methylthio)pyridine | 5-bromo-2-(methylsulfanyl)pyridine | AKOS010298587 | AM81185 | 2-METHYLTHIO-5-BROMOPYRIDINE | MFCD03411571 | J-516846 | DTXSID30465421 | 5-Bromo-2-(methylthio)pyridine, 97% | P

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

3-Bromo-6-methylsulfanyl-pyridine | AB14151 | 5-bromo-2-(methylthio)pyridine | 5-bromo-2-(methylsulfanyl)pyridine | AKOS010298587 | AM81185 | 2-METHYLTHIO-5-BROMOPYRIDINE | MFCD03411571 | J-516846 | DTXSID30465421 | 5-Bromo-2-(methylthio)pyridine, 97% | P

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504766405
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766405
• Sonrisas canónicas: CSC1=NC=C(C=C1)Br
• IUPAC Name: 5-bromo-2-methylsulfanylpyridine
• InChIKey: CFBYLVDSPYTKPR-UHFFFAOYSA-N
• INCHI: 1S/C6H6BrNS/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
• Isómeros SMILES: CSC1=NC=C(C=C1)Br
• WGK Alemania: 3
• Peso molecular: 204.09
• Reaxy-Rn: 1447637
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1447637&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: Alkylarylthioethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Alkylarylthioether - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen 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

• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de fusión (°C): 36-41°C
• Peso molecular: 204.090 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.94 Da
• Monoisotopic Mass: 202.94 Da
• Topological Polar Surface Area: 38.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 89.100
• 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