2-Oxo-1,3,2-dioxathiane

C₃H₆O₃SCAS 4176-55-0122.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₆O₃S
Molar mass: 122.14 g/mol
Exact mass: 122.0038 Da
Density: 1.3225 g/mL (at 20 °C)
Melting point: −14 °C
Boiling point: 88 °C (at 39 Torr)
logP: 0.00Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4176-55-0

SMILES

O=S1OCCCO1

InChIKey

LOURZMYQPMDBSR-UHFFFAOYSA-N

InChI

InChI=1S/C3H6O3S/c4-7-5-2-1-3-6-7/h1-3H2

Weigh it out

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

Names and synonyms

7 names

1,3,2-Dioxathiane, 2-oxide
1,3-Propanediol, cyclic sulfite
Trimethylene sulfite
1,3-Propylene sulfite
NSC 78687
1,3,2λ4-Dioxathian-2-one
1,3,2-Dioxathiane 2-oxide

Work with 2-Oxo-1,3,2-dioxathiane

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 sulfite3741-38-673 % similar 2,4,8,10-Tetraoxa-3λ4,9λ4-dithiaspiro[5.5]undecane-3,9-dione3670-93-745 % similar Diethyl sulfite623-81-445 % similar 1,3,2λ6-Dioxathiane-2,2-dione1073-05-833 % similar Dimethyl sulfite616-42-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Propane sultone1120-71-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook