Ethanamine, 2-[[(tributylstannyl)methyl]thio]- , CAS No.1452829-00-3

CAS: 1452829-00-3 Cat. No.: E1270272 Fórmula: C₁₅H₃₅NSSn Peso molecular: 380.22 Número CE: 809-159-8 PubChem CID: 71528623

Storage

Room temperature

Shipped In

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Specifications

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

• Sorrisos canónicos: CCCC[Sn](CCCC)(CCCC)CSCCN
• IUPAC Name: 2-(tributylstannylmethylsulfanyl)ethanamine
• InChIKey: DYBMHPJDHUKXRF-UHFFFAOYSA-N
• INCHI: 1S/3C4H9.C3H8NS.Sn/c3*1-3-4-2;1-5-3-2-4;/h3*1,3-4H2,2H3;1-4H2
• SMILES isoméricas: CCCC[Sn](CCCC)(CCCC)CSCCN
• PubChem CID: 71528623
• Peso molecular: 380.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Classe Organo-post-transition metal compounds
      • Subclass Organotin compounds
        • Level5 Tetraorganotin compounds
          • Level6 Tetraalkyltins

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Classe: Organo-post-transition metal compounds
• Subclass: Organotin compounds
• Intermediate Tree Nodes: Tetraorganotin compounds
• Direct Parent: Tetraalkyltins
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkyltin - Dialkylthioether - Sulfenyl compound - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tetraalkyltins. These are tetraorganotin compounds where the tin atom is linked to exactly four alkyl groups.
• 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

• Peso molecular: 380.200 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 381.151 Da
• Monoisotopic Mass: 381.151 Da
• Topological Polar Surface Area: 51.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 154.000
• 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

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