2-(Methylthio)pyrazine - ≥98%(GC) , CAS No.21948-70-9

CAS: 21948-70-9 Cat. No.: M132836 Fórmula: C₅H₆N₂S Peso molecular: 126.18 Beilstein Registry Number: 23(5)11,130 Número CE: 244-675-1

GRADE & PURITY ≥98%(GC)

Synonyms

2-methylsulanylpyrazine | AKOS006221647 | DTXCID9027491 | SCHEMBL1617422 | Q27287661 | PYRAZINYL METHYL SULFIDE [FHFI] | 2-(methylmercapto)pyrazine | Pyrazine, (methylthio)- | 2-(Methylthio)pyrazine, >=98%, FG | 2-Methylmercaptopyrazine | Q-100274 | A8157

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-methylsulanylpyrazine | AKOS006221647 | DTXCID9027491 | SCHEMBL1617422 | Q27287661 | PYRAZINYL METHYL SULFIDE [FHFI] | 2-(methylmercapto)pyrazine | Pyrazine, (methylthio)- | 2-(Methylthio)pyrazine, >=98%, FG | 2-Methylmercaptopyrazine | Q-100274 | A8157

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488190037
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190037
• Sorrisos canónicos: CSC1=NC=CN=C1
• IUPAC Name: 2-methylsulfanylpyrazine
• InChIKey: KBPBOWBQRUXMFV-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
• SMILES isoméricas: CSC1=NC=CN=C1
• Peso molecular: 126.18
• Beilstein: 23(5)11,130
• Reaxy-Rn: 878423
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878423&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Alkylarylthioethers Pyrazines Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Alkylarylthioether - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Ponto de fusão (°C): 45 °C
• Peso molecular: 126.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 126.025 Da
• Monoisotopic Mass: 126.025 Da
• Topological Polar Surface Area: 51.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 67.400
• 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