2-(Ethylthio)ethylamine hydrochloride - ≥98% , CAS No.54303-30-9

CAS: 54303-30-9 Cat. No.: E170901 Fórmula: C₄H₁₂ClN Peso molecular: 141.66 Número CE: 259-081-8

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Visão geral

2-(Ethylthio)ethylamine forms complexes with Pd(II) and Pt(II)
2-(Ethylthio)ethylamine hydrochloride was used in the preparation of (syn, syn)-2,7-Bis(N-2-ethylthioethylmethylimino)-1,8-naphthyridine. It was used in the synthesis of N-functionalized bis(phosphino)amine ligands with ether, thioether and pyridyl ethers.

Specifications

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504762312
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762312
• Sorrisos canónicos: CCSCCN.Cl
• IUPAC Name: 2-ethylsulfanylethanamine;hydrochloride
• InChIKey: AZQOTRRSHMSXFJ-UHFFFAOYSA-N
• INCHI: 1S/C4H11NS.ClH/c1-2-6-4-3-5;/h2-5H2,1H3;1H
• SMILES isoméricas: CCSCCN.Cl
• WGK Alemanha: 3
• Peso molecular: 141.66
• Reaxy-Rn: 3906671
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3906671&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Dialkylthioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Dialkylthioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkylthioethers
• Alternative Parents: Sulfenyl compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two 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

• Ponto de fusão (°C): 144-146°C
• Peso molecular: 141.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 141.038 Da
• Monoisotopic Mass: 141.038 Da
• Topological Polar Surface Area: 51.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 23.500
• 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: 2

XLogP3