1,3,4,6-Tetrathiapentalene-2,5-dione

1,3,4,6-Tetrathiapentalene-2,5-dione
Names
	Other names Thiapendione; [1,3]Dithiolo[4,5-d][1,3]dithiole-2,5-dione
Identifiers
CAS Number	64394-45-2 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL84735;
ChemSpider	482683 ;
ECHA InfoCard	100.151.101
EC Number	622-328-9;
PubChem CID	555056;
	InChI InChI=1S/C4O2S4/c5-3-7-1-2(9-3)10-4(6)8-1 Key: XMQJUIFJLYEFQR-UHFFFAOYSA-N ;
	SMILES C12=C(SC(=O)S1)SC(=O)S2;
Properties
Chemical formula	C4O2S4
Molar mass	208.28 g·mol−1
Density	2 g/cm3
Structure
Crystal structure	Monoclinic
Space group	P21/c
Lattice constant	a = 3.9321(8) Å, b = 10.886(2) Å, c = 8.3000(9) Å α = 90°, β = 103.60(1)°, γ = 90°
Formula units (Z)	2
Molecular shape	D2h
Dipole moment	0 D
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

1,3,4,6-Tetrathiapentalene-2,5-dione or thiapendione is a chemical compound with a formula C₄O₂S₄. It is a dithiole containing two carbonyl groups that is used in the synthesis of sulfur heterocyclic compounds.^[1]

References

^ ^a ^b ^c Müller, H.; Averbuch, M.-T. (1999). "1,3,4,6-Tetrathiapentalene-2,5-dione". Acta Crystallographica Section C Crystal Structure Communications. 55 (4): 590–592. Bibcode:1999AcCrC..55..590M. doi:10.1107/S0108270198014346.

[str-1] Müller, H.; Averbuch, M.-T. (1999). "1,3,4,6-Tetrathiapentalene-2,5-dione". Acta Crystallographica Section C Crystal Structure Communications. 55 (4): 590–592. Bibcode:1999AcCrC..55..590M. doi:10.1107/S0108270198014346.

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