Diethyl xanthate , CAS No.623-79-0

CAS: 623-79-0 Cat. No.: D1067089 Número EC: 210-813-4 PubChem CID: 69342

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CCOC(=S)SCC
• IUPAC Name: O-ethyl ethylsulfanylmethanethioate
• InChIKey: JGZZEAPGGFAOAY-UHFFFAOYSA-N
• INCHI: 1S/C5H10OS2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3
• Isómeros SMILES: CCOC(=S)SCC
• CAS alternativo: 623-79-0
• PubChem CID: 69342
• Número NSC: 8847

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioacetals
      • Subclass Monothioacetals

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioacetals
• Subclass: Monothioacetals
• Intermediate Tree Nodes: Not available
• Direct Parent: Monothioacetals
• Alternative Parents: Sulfenyl compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monothioacetal - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monothioacetals. These are compounds containing a monothioacetal functional group with the general structure R2C(OR')(SR').
• 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: 150.300 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 150.017 Da
• Monoisotopic Mass: 150.017 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.800
• 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