Ethyl Methyl Sulfone - ≥98%(GC) , CAS No.594-43-4

CAS: 594-43-4 Cat. No.: E156277 Molecular Weight: 108.16 EC Number: 687-356-6

GRADE & PURITY ≥98%(GC)

Synonyms

Ethyl methyl sulfone | 1-(Methylsulfonyl)ethane # | K26P79M26R | Methylsulfonylethane | trans-3,4-dihydroxysulfolane; ethyl methyl sulfone | Methyl ethyl sulfone | Q27281844 | DTXSID20208122 | MFCD00015543 | Ethyl methyl sulphone | SCHEMBL10629 | 1-methyl

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Ethyl methyl sulfone | 1-(Methylsulfonyl)ethane # | K26P79M26R | Methylsulfonylethane | trans-3, 4-dihydroxysulfolane; ethyl methyl sulfone | Methyl ethyl sulfone | Q27281844 | DTXSID20208122 | MFCD00015543 | Ethyl methyl sulphone | SCHEMBL10629 | 1-methyl

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488185671
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185671
• Canonical Smiles: CCS(=O)(=O)C
• IUPAC Name: 1-methylsulfonylethane
• InChIKey: YBJCDTIWNDBNTM-UHFFFAOYSA-N
• INCHI: 1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3
• Isomeric SMILES: CCS(=O)(=O)C
• WGK Germany: 3
• Molecular Weight: 108.16
• Reaxy-Rn: 1740685
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740685&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Sulfonyls
      • Subclass Sulfones

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Sulfonyls
• Subclass: Sulfones
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms.
• 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Melt Point(°C): 32-37°C
• Molecular Weight: 108.160 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 108.025 Da
• Monoisotopic Mass: 108.025 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 105.000
• 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