1,3,2-Dioxathiolan-2,2-dioxide

C₂H₄O₄SCAS 1072-53-3124.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₄O₄S
Molar mass: 124.11 g/mol
Exact mass: 123.9830 Da
Melting point: 99 °C
logP: -0.72Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed92.5% of notifiers
H314 Causes severe skin burns and eye damage88.8% of notifiers
H317 May cause an allergic skin reaction87.5% of notifiers
H318 Causes serious eye damage87.5% of notifiers
H351 Suspected of causing cancer91.2% of notifiers

Aggregated from 80 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

1072-53-3

SMILES

O=S1(=O)OCCO1

InChIKey

ZPFAVCIQZKRBGF-UHFFFAOYSA-N

InChI

InChI=1S/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2

Weigh it out

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

Names and synonyms

7 names

1,3,2-Dioxathiolane, 2,2-dioxide
Ethylene glycol, cyclic sulfate
Ethylene sulfate (((CH2O)2SO2))
Ethylene sulfate
1,2-Ethylene sulfate
NSC 526594
1,3,2λ6-Dioxathiolane-2,2-dione

Work with 1,3,2-Dioxathiolan-2,2-dioxide

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

1,3,2λ6-Dioxathiane-2,2-dione1073-05-873 % similar Diethyl sulfate64-67-550 % similar 1,3-Propane sultone1120-71-435 % similar Dimethyl sulfate77-78-133 % similar Aminoethyl sulfate926-39-633 % similar 1,4-Butane sultone1633-83-632 % similar Busulfan55-98-132 % similar Oxathiane 4,4-dioxide107-61-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook