chempirical

Methanedisulfonic acid

CH4O6S2CAS 503-40-2176.16 g/mol

Open in Covalent MOL file
OSOOHSOOOH
Sulfonic acid

Properties

Molecular formula
CH4O6S2
Molar mass
176.16 g/mol
Exact mass
175.9449 Da
Melting point
98 °C
logP
-1.28Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
503-40-2
SMILES
O=S(=O)(O)CS(=O)(=O)O
InChIKey
OPUAWDUYWRUIIL-UHFFFAOYSA-N
InChI
InChI=1S/CH4O6S2/c2-8(3,4)1-9(5,6)7/h1H2,(H,2,3,4)(H,5,6,7)

Weigh it out

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

Names and synonyms

2 names
  • Methylenedisulfonic acid
  • Methionic acid

Work with Methanedisulfonic 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

Ethanedisulfonic acid110-04-360 % similar 1,3-Propanedisulfonic acid21668-77-953 % similar 1,4-Butanedisulfonic acid27665-39-053 % similar Aminomethanesulfonic acid13881-91-950 % similar Ethanesulfonic acid594-45-650 % similar Isethionic acid107-36-847 % similar Taurine107-35-745 % similar Bromoethanesulfonic acid26978-65-445 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia