1,4-Butanedisulfonic acid

C₄H₁₀O₆S₂CAS 27665-39-0218.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀O₆S₂
Molar mass: 218.24 g/mol
Exact mass: 217.9919 Da
Melting point: 84 °C
logP: -0.46Crippen estimate
Polar surface area: 108.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Identifiers

CAS number

27665-39-0

SMILES

O=S(=O)(O)CCCCS(=O)(=O)O

InChIKey

VERAMNDAEAQRGS-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O6S2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)

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

Names and synonyms

1 names

1,4-Disulfobutane

Work with 1,4-Butanedisulfonic 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 acid21668-77-987 % similar Ethanedisulfonic acid110-04-373 % similar 1-Octanesulfonic acid3944-72-767 % similar Butanesulfonic acid2386-47-265 % similar Homotaurine3687-18-165 % similar Isethionic acid107-36-858 % similar Taurine107-35-755 % similar Bromoethanesulfonic acid26978-65-455 % similar

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

Elsewhere

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