1,2-Ethanedisulfonic Acid Dihydrate - ≥95%(T) , CAS No.5982-56-9

CAS: 5982-56-9 Cat. No.: E404394 Molecular Weight: 226.21

GRADE & PURITY ≥95%(T)

Synonyms

Ethane-1,2-disulfonic acid--water (1/2) | ethane-1,2-disulfonicaciddihydrate | 1,2-Ethanedisulfonic acid dihydrate [MI] | Ethylenedisulfonic acid (dihydrate) | MFCD26793415 | ethane disulfonic acid dihydrate | SCHEMBL162527 | ethane-1,2-disulfonic acid di

Storage

Argon charged,Room temperature

Specifications

Synonyms

Ethane-1, 2-disulfonic acid--water (1/2) | ethane-1, 2-disulfonicaciddihydrate | 1, 2-Ethanedisulfonic acid dihydrate [MI] | Ethylenedisulfonic acid (dihydrate) | MFCD26793415 | ethane disulfonic acid dihydrate | SCHEMBL162527 | ethane-1, 2-disulfonic acid di

Specifications & Purity

≥95%(T)

Storage

Argon charged, Room temperature

Purity

≥95%(T)

Names and Identifiers

• Canonical Smiles: C(CS(=O)(=O)O)S(=O)(=O)O.O.O
• IUPAC Name: ethane-1,2-disulfonic acid;dihydrate
• InChIKey: DSGUSEBCDAKBCM-UHFFFAOYSA-N
• INCHI: 1S/C2H6O6S2.2H2O/c3-9(4,5)1-2-10(6,7)8;;/h1-2H2,(H,3,4,5)(H,6,7,8);2*1H2
• Isomeric SMILES: C(CS(=O)(=O)O)S(=O)(=O)O.O.O
• UN Number: 2585
• Packing Group: III
• Molecular Weight: 226.21
• Reaxy-Rn: 6300691
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6300691&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - 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 acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen 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

Chemical and Physical Properties

• Solubility: Very soluble in Dioxane; Soluble in Ether,Ethanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 112 °C
• Molecular Weight: 226.200 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 225.982 Da
• Monoisotopic Mass: 225.982 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 239.000
• 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: 3

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