2,4,8,10-Tetraoxa-3λ4,9λ4-dithiaspiro[5.5]undecane-3,9-dione

C₅H₈O₆S₂CAS 3670-93-7228.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈O₆S₂
Molar mass: 228.23 g/mol
Exact mass: 227.9762 Da
Melting point: 151 °C
logP: -0.78Crippen estimate
Polar surface area: 71.1 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 0

Identifiers

CAS number

3670-93-7

SMILES

O=S1OCC2(CO1)COS(=O)OC2

InChIKey

UCFQFMBCPHTKRN-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O6S2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h1-4H2

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

Names and synonyms

6 names

2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane, 3,9-dioxide
Pentaerythritol, cyclic disulfite
Neopentanetetrayl sulfite
Pentaerythritol disulfite
NSC 25619
T 0400-1511

Work with 2,4,8,10-Tetraoxa-3λ4,9λ4-dithiaspiro[5.5]undecane-3,9-dione

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

Ethylene sulfite3741-38-650 % similar 2-Oxo-1,3,2-dioxathiane4176-55-045 % similar Diethyl sulfite623-81-443 % similar

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

Elsewhere

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