1,4-Butane sultone

C₄H₈O₃SCAS 1633-83-6136.17 g/mol

Open in Covalent MOL file

Sulfonate ester

Properties

Molecular formula: C₄H₈O₃S
Molar mass: 136.17 g/mol
Exact mass: 136.0194 Da
Density: 1.336 g/mL (at 18 °C)
Melting point: 14.5 °C
Boiling point: 152–153 °C (at 16 Torr)
logP: 0.13Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed99.4% of notifiers
H315 Causes skin irritation65.3% of notifiers
H319 Causes serious eye irritation65.3% of notifiers
H335 May cause respiratory irritation65.3% of notifiers
H341 Suspected of causing genetic defects66.5% of notifiers
H351 Suspected of causing cancer95.8% of notifiers
H412 Harmful to aquatic life with long lasting effects62.9% of notifiers

Aggregated from 167 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1633-83-6

SMILES

O=S1(=O)CCCCO1

InChIKey

MHYFEEDKONKGEB-UHFFFAOYSA-N

InChI

InChI=1S/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2

Weigh it out

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

Names and synonyms

9 names

1,2-Oxathiane, 2,2-dioxide
1-Butanesulfonic acid, 4-hydroxy-, δ-sultone
δ-Valerosultone
Butane sultone
δ-Butane sultone
NSC 71999
1,4-Butyl sultone
1,4-Butylene sulfone
1,2λ6-Oxathiane-2,2-dione

Reactions

4-HYDROXY-1-BUTANESULFONIC ACID SULTONE (1-Butanesulfonic acid, 4-hydroxy-, δ-sultone)product

Work with 1,4-Butane 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

1,3-Propane sultone1120-71-488 % similar Busulfan55-98-142 % similar 1,3,2λ6-Dioxathiane-2,2-dione1073-05-841 % similar 1,5,2,4-Dioxadithiane 2,2,4,4-tetraoxide99591-74-935 % similar Sulfolane126-33-033 % similar 1,3,2-Dioxathiolan-2,2-dioxide1072-53-332 % similar Tetrahydrofuran109-99-932 % similar Butyl methanesulfonate1912-32-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oxathiane 4,4-dioxide107-61-9 2,4-Butanesultone1121-03-5 1-(Methylsulfonyl)-2-propanone5000-46-4

Elsewhere

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