chempirical

2-Oxo-1,3,2-dioxathiane

C3H6O3SCAS 4176-55-0122.14 g/mol

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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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

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

6 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

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