1,5,2,4-Dioxadithiane 2,2,4,4-tetraoxide

C₂H₄O₆S₂CAS 99591-74-9188.17 g/mol

Open in Covalent MOL file

Sulfonate ester

Properties

Molecular formula: C₂H₄O₆S₂
Molar mass: 188.17 g/mol
Exact mass: 187.9449 Da
logP: -1.39Crippen estimate
Polar surface area: 86.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed96.6% of notifiers
H317 May cause an allergic skin reaction96.6% of notifiers
H318 Causes serious eye damage96.6% of notifiers
H330 Fatal if inhaled96.6% of notifiers
H341 Suspected of causing genetic defects100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

Aggregated from 116 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

99591-74-9

SMILES

O=S1(=O)CS(=O)(=O)OCO1

InChIKey

GWAOOGWHPITOEY-UHFFFAOYSA-N

InChI

InChI=1S/C2H4O6S2/c3-9(4)2-10(5,6)8-1-7-9/h1-2H2

Weigh it out

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

Names and synonyms

2 names

1,5,2,4-Dioxadithiane, 2,2,4,4-tetraoxide
Methylene methanedisulfonate

Work with 1,5,2,4-Dioxadithiane 2,2,4,4-tetraoxide

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-Propane sultone1120-71-438 % similar 1,4-Butane sultone1633-83-635 % similar Methyl ethanesulfonate1912-28-335 % similar 1,3,2-Dioxathiolan-2,2-dioxide1072-53-330 % similar

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

Elsewhere

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