1,3,2λ6-Dioxathiane-2,2-dione

C₃H₆O₄SCAS 1073-05-8138.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₆O₄S
Molar mass: 138.14 g/mol
Exact mass: 137.9987 Da
Melting point: 63 °C
Boiling point: 153 °C (at 14 Torr)
logP: -0.33Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Danger

H318 Causes serious eye damage11.6% of notifiers
H341 Suspected of causing genetic defects11.6% of notifiers
H351 Suspected of causing cancer93% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264+P265, P280, P305+P354+P338, P317, P318, P405, P501

Identifiers

CAS number

1073-05-8

SMILES

O=S1(=O)OCCCO1

InChIKey

OQYOVYWFXHQYOP-UHFFFAOYSA-N

InChI

InChI=1S/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2

Weigh it out

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

Names and synonyms

6 names

1,3,2-Dioxathiane, 2,2-dioxide
Trimethylene sulfate
1,3-Propanediol, cyclic sulfate
1,3-Propylene sulfate
Propano-1,3-diyl sulfate
NSC 526595

Work with 1,3,2λ6-Dioxathiane-2,2-dione

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

1,3,2-Dioxathiolan-2,2-dioxide1072-53-373 % similar 1,3-Propane sultone1120-71-445 % similar Diethyl sulfate64-67-545 % similar 1,4-Butane sultone1633-83-641 % similar Busulfan55-98-141 % similar Butyl methanesulfonate1912-32-935 % similar n-Butyl sulfate15507-13-833 % similar 2-Oxo-1,3,2-dioxathiane4176-55-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(Methylsulfonyl)acetic acid2516-97-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook