chempirical

Ethanedisulfonic acid

C2H6O6S2CAS 110-04-3190.18 g/mol

Open in Covalent MOL file
OSOHOSOOOH
Sulfonic acid

Properties

Molecular formula
C2H6O6S2
Molar mass
190.18 g/mol
Exact mass
189.9606 Da
Melting point
173 °C
logP
-1.24Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
110-04-3
SMILES
O=S(=O)(O)CCS(=O)(=O)O
InChIKey
AFAXGSQYZLGZPG-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1,2-Ethanedisulfonic acid
  • Allergosil
  • Ethane-α,β-disulfonic acid
  • Ethylenedisulfonic acid
  • 1,2-Ethylenedisulfonic acid

Work with Ethanedisulfonic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Propanedisulfonic acid21668-77-973 % similar 1,4-Butanedisulfonic acid27665-39-073 % similar Isethionic acid107-36-865 % similar Taurine107-35-761 % similar Bromoethanesulfonic acid26978-65-461 % similar Coenzyme M3375-50-661 % similar 1-Propanesulfonic acid5284-66-261 % similar Methanedisulfonic acid503-40-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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