1,3-Propane sultone

C3H6O3SCAS 1120-71-4122.14 g/mol

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Sulfonate ester

Properties

Molecular formula
C3H6O3S
Molar mass
122.14 g/mol
Exact mass
122.0038 Da
Density
1.393 g/mL (at 40 °C)
Melting point
31 °C
Boiling point
180 °C (at 30 Torr)
Flash point
112.8 °C
Water solubility
100 g/L
logP
-0.26Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 016-032-00-3), via PubChem.

Precautionary statements

P203, P264, P270, P280, P301+P317, P302+P352, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number
1120-71-4
SMILES
O=S1(=O)CCCO1
InChIKey
FSSPGSAQUIYDCN-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2

Weigh it out

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

Names and synonyms

12 names
  • 1,2-Oxathiolane, 2,2-dioxide
  • 1-Propanesulfonic acid, 3-hydroxy-, γ-sultone
  • γ-Propane sultone
  • Propane sultone
  • 3-Hydroxy-1-propanesulfonic acid sultone
  • Propyl sultone
  • 3-Hydroxy-1-propanesulfonic acid γ-sultone
  • NSC 42386
  • 1,3-Trimethylene sultone
  • 1,2-Oxathiolan-2,2-dioxide
  • 1,2-Oxathiolane-2,2-dioxide
  • ES 200L

Work with 1,3-Propane sultone

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

1,4-Butane sultone1633-83-688 % similar 1,3,2λ6-Dioxathiane-2,2-dione1073-05-845 % similar Busulfan55-98-139 % similar 1,5,2,4-Dioxadithiane 2,2,4,4-tetraoxide99591-74-938 % similar 1,3,2-Dioxathiolan-2,2-dioxide1072-53-335 % similar Butyl methanesulfonate1912-32-933 % similar n-Butyl sulfate15507-13-832 % similar Oxathiane 4,4-dioxide107-61-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Oxo-1,3,2-dioxathiane4176-55-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia