2-Hydroxyethane-1-sulfonyl fluoride - ≥95% , CAS No.1893924-11-2

CAS: 1893924-11-2 Cat. No.: H930501 Summenformel: C₂H₅FO₃S Molekulargewicht: 128.130

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C(CS(=O)(=O)F)O
• IUPAC Name: 2-hydroxyethanesulfonyl fluoride
• InChIKey: YMURXKSLXJLVBS-UHFFFAOYSA-N
• INCHI: 1S/C2H5FO3S/c3-7(5,6)2-1-4/h4H,1-2H2
• Molekulargewicht: 128.130

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Sulfonyl halides
      • Subclass Sulfonyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Sulfonyl halides
• Subclass: Sulfonyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonyl fluorides
• Alternative Parents: Sulfonyls Organosulfonic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfonyl - Sulfonyl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sulfonyl fluorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a fluorine atom.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 128.130 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 127.994 Da
• Monoisotopic Mass: 127.994 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 120.000
• 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