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Cyclohexanehexathione

Cyclohexanehexathione

Names
Preferred IUPAC name Cyclohexanehexathione
Other names 1,2,3,4,5,6-Cyclohexanehexathione Cyclohexane-1,2,3,4,5,6-hexathione
Identifiers
CAS Number	129917-29-9 Y
3D model (JSmol)	Interactive image
ChemSpider	28680776 Y
PubChem CID	71340739
CompTox Dashboard (EPA)	DTXSID00767863
InChI InChI=1S/C6S6/c7-1-2(8)4(10)6(12)5(11)3(1)9 Y[pubchem] Key: OZKIZIQFPZROOY-UHFFFAOYSA-N Y[pubchem] InChI=1S/C6S6/c7-1-2(8)4(10)6(12)5(11)3(1)9 Key: OZKIZIQFPZROOY-UHFFFAOYSA-N
SMILES C1(=S)C(=S)C(=S)C(=S)C(=S)C1=S
Properties
Chemical formula	C6S6
Molar mass	264.43 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references

Chemical compound

Cyclohexanehexathione is a cyclic covalent compound consisting of a six-carbon ring with a sulfur bonded to each. It has been generated by neutralization of its monoanion (C₆S−6) in a mass spectrometer.^[1] This compound is the thioketone analog of cyclohexanehexone; that oxygen variant is expected to be substantially less stable.^[2] Synthesis of C₆S₆byphotolysisorpyrolysis to extrude three equivalents of carbon monoxide from a precursor containing adjacent pairs of sulfurs as cyclic dithiocarbonate units gave what is more likely a different valence isomer, as various dithiete-containing structures are predicted to be more stable than the hexathione form.^[3]

Proposed valence isomers of cyclohexanehexathione

This theoretical analysis of the various isomers and experimental analysis of this reaction cast doubt on whether the mass spectrometric approach really did produce the hexathione isomer as originally claimed. The increased stability of dithietes as compared to dioxetane-like rings is one of theoretical bases for proposing C₆S₆ is more stable than the oxygen analog.^[2]

References[edit]

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