5H-1,2-Oxathiole 2,2-dioxide

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

Hazards

Danger

H301 Toxic if swallowed73.7% of notifiers
H302 Harmful if swallowed15.8% of notifiers
H311 Toxic in contact with skin10.5% of notifiers
H317 May cause an allergic skin reaction68.4% of notifiers
H318 Causes serious eye damage15.8% of notifiers
H319 Causes serious eye irritation57.9% of notifiers
H341 Suspected of causing genetic defects84.2% of notifiers
H411 Toxic to aquatic life with long lasting effects68.4% of notifiers

Aggregated from 19 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P405, P501

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

4 names

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

Work with 5H-1,2-Oxathiole 2,2-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

Elsewhere

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