2-((2-(2-Hydroxyethoxy)ethyl)thio)ethanol - ≥95% , CAS No.85391-94-2

CAS: 85391-94-2 Cat. No.: H1339578 Fórmula: C₆H₁₄O₃S Peso molecular: 166.24 Número EC: 286-851-0

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

C(COCCSCCO)O

IUPAC Name

2-[2-(2-hydroxyethylsulfanyl)ethoxy]ethanol

InChIKey

LXGFOHOXYOCIDT-UHFFFAOYSA-N

INCHI

1S/C6H14O3S/c7-1-3-9-4-6-10-5-2-8/h7-8H,1-6H2

Peso molecular

166.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkylthioether - Sulfenyl compound - Thioether - Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are 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

Propiedades químicas y físicas

• Peso molecular: 166.240 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 166.066 Da
• Monoisotopic Mass: 166.066 Da
• Topological Polar Surface Area: 75.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 61.000
• 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