1,2-Ethanedisulfonic acid hydrate - ≥95%(T) , CAS No.110-04-3

CAS: 110-04-3 Cat. No.: E156417 Formula: C₂H₆O₆S₂•XH₂O Molecular Weight: 190.20 Beilstein Registry Number: 4(4)78 EC Number: 203-732-0

GRADE & PURITY ≥95%(T)

Synonyms

1,2-Ethanedisulphonic acid|1,2-ETHANEDISULFONIC ACID [MI]|ethane-1,2-disulfonic acid|1,2-ethane disulfonic acid|1,2-ETHANEDISULFONIC ACID|(S)-5,5,5-Trifluoronorvaline|1,2 ethanedisulfonic acid|ethane disulfonic acid|Allergosil|ethylenedisulfonic acid|1,2-ETHANEDISULFONIC ACID, FREE ACID|1,2-Ethylenedisulfonic acid; Allergosil; Ethane-alpha,beta-disulfonic acid; Ethanedisulfonic acid|5,5,5-Trifluoro-L-norvaline|ethandisulfonic acid

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Product Application：

It is employed in the preparation of "edisylate" salts. It is also used in biological studies to evaluate cellular metabolism and allergy using guinea pigs as the subject of the studies.

Specifications

Synonyms

1,2-Ethanedisulphonic acid | 1,2-ETHANEDISULFONIC ACID [MI] | ethane-1,2-disulfonic acid | 1,2-ethane disulfonic acid | 1,2-ETHANEDISULFONIC ACID | (S)-5,5,5-Trifluoronorvaline | 1,2 ethanedisulfonic acid | ethane disulfonic acid | Allergosil | ethylenedisulfonic acid | 1,2-ETHANEDISULFONIC ACID, FREE ACID | 1,2-Ethylenedisulfonic acid; A Show more

Specifications & Purity

≥95%(T)

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥95%(T)

Names and Identifiers

Pubchem Sid

508806952

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508806952

Canonical Smiles

C(CS(=O)(=O)O)S(=O)(=O)O

IUPAC Name

ethane-1,2-disulfonic acid

InChIKey

AFAXGSQYZLGZPG-UHFFFAOYSA-N

INCHI

1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)

Isomeric SMILES

C(CS(=O)(=O)O)S(=O)(=O)O

Alternate CAS

5982-56-9

Molecular Weight

190.20

Beilstein

4(4)78

Reaxy-Rn

1781377

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1781377&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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: soluble in water, ethanol, ether, and very soluble in dioxane.
• Sensitivity: Air Sensitive,Hygroscopic
• Molecular Weight: 190.200 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 189.961 Da
• Monoisotopic Mass: 189.961 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 10
• 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: 1