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

Short description: Organosulfuric compound with formula C4O2S4

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 Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL84735
ChemSpider	482683 Y
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 Y
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.