2,2,4,4-Tetrafluoro-1,3-dithietane

C₂F₄S₂CAS 1717-50-6164.14 g/mol

Open in Covalent MOL file

Alkyl halide Sulfide

Properties

Molecular formula: C₂F₄S₂
Molar mass: 164.14 g/mol
Exact mass: 163.9378 Da
Density: 1.6036 g/mL (at 20 °C)
Melting point: −6 °C
Boiling point: 47–48 °C
logP: 2.57Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

1717-50-6

SMILES

FC1(F)SC(F)(F)S1

InChIKey

MPOCEMBRPHOCMK-UHFFFAOYSA-N

InChI

InChI=1S/C2F4S2/c3-1(4)7-2(5,6)8-1

Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+

[M + H]+ Calcd for C2HF4S2 164.9450

[M + Na]+

[M + Na]+ Calcd for C2F4NaS2 186.9270

Elemental analysis

Anal. Calcd for C2F4S2: C, 14.64; S, 39.07.

Weigh it out

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

Names and synonyms

4 names

1,3-Dithietane, 2,2,4,4-tetrafluoro-
1,3-Dithietane, tetrafluoro-
Tetrafluoro-1,3-dithietane
NSC 339329

Work with 2,2,4,4-Tetrafluoro-1,3-dithietane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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