1,3-Propene sultone

C₃H₄O₃SCAS 21806-61-1120.12 g/mol

Open in Covalent MOL file

Alkene Sulfonate ester

Properties

Molecular formula: C₃H₄O₃S
Molar mass: 120.12 g/mol
Exact mass: 119.9881 Da
Melting point: 78 °C
logP: -0.14Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

21806-61-1

SMILES

O=S1(=O)C=CCO1

InChIKey

KLLQVNFCMHPYGL-UHFFFAOYSA-N

InChI

InChI=1S/C3H4O3S/c4-7(5)3-1-2-6-7/h1,3H,2H2

Weigh it out

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

Names and synonyms

3 names

5H-1,2-Oxathiole, 2,2-dioxide
1-Propene-1-sulfonic acid, 3-hydroxy-, γ-sultone
1-Propene-1,3-sultone

Work with 1,3-Propene 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

Elsewhere

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