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

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

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)

Weigh it out

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

Names and synonyms

2 names

1,4-Disulfobutane
Butane-1,4-disulfonic acid

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Disodium butane-1,4-disulfonate36589-61-4Salt Adenosine, 5′-[[(3S)-3-amino-3-carboxypropyl]methylsulfonio]-5′-deoxy-, 1,4-butanedisulfonate (salt), 1,4-butanedisulfonate (salt) (2:1:2)101020-79-5Salt

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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