chempirical

Oxathiane 4,4-dioxide

C4H8O3SCAS 107-61-9136.16 g/mol

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EtherSulfone

Properties

Molecular formula
C4H8O3S
Molar mass
136.16 g/mol
Exact mass
136.0194 Da
Melting point
129–130 °C
Boiling point
130–140 °C (at 1 Torr)
logP
-0.57Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
107-61-9
SMILES
O=S1(=O)CCOCC1
InChIKey
WWRUZECKUVNAPB-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O3S/c5-8(6)3-1-7-2-4-8/h1-4H2

Weigh it out

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

Names and synonyms

8 names
  • 1,4-Oxathiane, 4,4-dioxide
  • p-Thioxane sulfone
  • Thioxane sulfone
  • 1,4-Thioxan-1,1-dioxide
  • 1,4-Thioxane-1,1-dioxide
  • NSC 39595
  • 1,4-Oxathiane sulfone
  • 1,4λ6-Oxathiane-4,4-dione

Work with Oxathiane 4,4-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

Sulfolane126-33-047 % similar Propyl sulfone598-03-840 % similar 1,1′-Sulfonylbis[butane]598-04-936 % similar 1,4-Dioxane123-91-133 % similar 12-Crown-4294-93-933 % similar 15-Crown-533100-27-533 % similar Ethylene oxide75-21-833 % similar Mes (buffer)4432-31-932 % similar

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

Same formula

2,4-Butanesultone1121-03-5 1,4-Butane sultone1633-83-6 1-(Methylsulfonyl)-2-propanone5000-46-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook