Ethanesulfonic anhydride - ≥95% , CAS No.13223-06-8

CAS: 13223-06-8 Cat. No.: E1346395 Formule: C₄H₁₀O₅S₂ Poids moléculaire: 202.24 Numéro CE: 894-345-1 PubChem CID: 13982209

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CCS(=O)(=O)OS(=O)(=O)CC
• IUPAC Name: ethylsulfonyl ethanesulfonate
• InChIKey: CCJXQRNXZKSOGJ-UHFFFAOYSA-N
• INCHI: 1S/C4H10O5S2/c1-3-10(5,6)9-11(7,8)4-2/h3-4H2,1-2H3
• Isomères SMILES: CCS(=O)(=O)OS(=O)(=O)CC
• PubChem CID: 13982209
• Poids moléculaire: 202.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic anhydrides
• Alternative Parents: Sulfonyls Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic anhydride - Sulfonyl - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic anhydrides. These are organic compounds having the structure RS(=O)2OS(=O)2R', where R = organyl group and R' = H or organyl group.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 202.300 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 201.997 Da
• Monoisotopic Mass: 201.997 Da
• Topological Polar Surface Area: 94.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 254.000
• 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