4-Thioanisolemagnesium bromide solution - 0.5 M in THF , CAS No.18620-04-7

CAS: 18620-04-7 Cat. No.: T140697 Fórmula: C₇H₇BrMgS Peso molecular: 227.4 Número CE: 807-344-8 PubChem CID: 10857186

GRADE & PURITY 0.5 M in THF

Synonyms

4-Thioanisolemagnesium bromide, 0.5M in tetrahydrofuran | SCHEMBL958355 | 4-Thioanisolemagnesium bromide | MFCD00672010 | 4-methylsulfanylphenylmagnesium bromide | 4-methylsulfanyl-phenylmagnesium bromide | AKOS015909230 | magnesium;methylsulfanylbenzene;

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4-Thioanisolemagnesium bromide, 0.5M in tetrahydrofuran | SCHEMBL958355 | 4-Thioanisolemagnesium bromide | MFCD00672010 | 4-methylsulfanylphenylmagnesium bromide | 4-methylsulfanyl-phenylmagnesium bromide | AKOS015909230 | magnesium;methylsulfanylbenzene;

Especificações e pureza

0.5 M in THF

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Pubchem Sid: 528760894
• Sorrisos canónicos: CSC1=CC=[C-]C=C1.[Mg+2].[Br-]
• IUPAC Name: magnesium;methylsulfanylbenzene;bromide
• InChIKey: RIHHDNYCTKOKAZ-UHFFFAOYSA-M
• INCHI: 1S/C7H7S.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
• SMILES isoméricas: CSC1=CC=[C-]C=C1.[Mg+2].[Br-]
• WGK Alemanha: 3
• PubChem CID: 10857186
• Peso molecular: 227.4

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: Thiophenol ethers Alkylarylthioethers Benzene and substituted derivatives Sulfenyl compounds Organic metal halides Organic metal bromide salts Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Organic metal halide - Organic metal bromide salt - Sulfenyl compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic cation - Aromatic homomonocyclic 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): <1.4 °F
• Ponto de inflamação (°C): <-17 °C
• Ponto de ebulição (°C): 65 °C
• Peso molecular: 227.410 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 225.93 Da
• Monoisotopic Mass: 225.93 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 145.000
• 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: 3

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