2,4-Butanesultone

C4H8O3SCAS 1121-03-5136.16 g/mol

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OSOO
Sulfonate ester

Properties

Molecular formula
C4H8O3S
Molar mass
136.16 g/mol
Exact mass
136.0194 Da
Density
1.31 g/mL (at 18 °C)
Melting point
−14 °C
Boiling point
150 °C (at 15 Torr)
logP
0.13Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1121-03-5
SMILES
CC1CCOS1(=O)=O
InChIKey
VWEYDBUEGDKEHC-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O3S/c1-4-2-3-7-8(4,5)6/h4H,2-3H2,1H3

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

Names and synonyms

4 names
  • 1,2-Oxathiolane, 3-methyl-, 2,2-dioxide
  • 2-Butanesulfonic acid, 4-hydroxy-, γ-sultone
  • 3-Methyloxathiolane 2,2-dioxide
  • 3-Methyl-1,2λ6-oxathiolane-2,2-dione

Work with 2,4-Butanesultone

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

2,4-Dimethylsulfolane1003-78-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oxathiane 4,4-dioxide107-61-9 1,4-Butane sultone1633-83-6 1-(Methylsulfonyl)-2-propanone5000-46-4

Elsewhere

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