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

1,3,4,6-Tetrathiapentalene-2,5-dione
Names
	Preferred IUPAC name 2H,5H-[1,3]Dithiolo[4,5-d][1,3]dithiole-2,5-dione
	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 gÂ·molâ1
Density	2 g/cm3
Structure
Crystal structure	Monoclinic
Space group	P21/c
Lattice constant	a = 3.9321(8) Ã, b = 10.886(2) Ã, c = 8.3000(9) Ã Î± = 90Â°, Î² = 103.60(1)Â°, Î³ = 90Â°
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 Â°C [77 Â°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]

Quick facts Names, Identifiers ...

Close

[1]

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

References

Related Articles

Names


Preferred IUPAC name 2H,5H-[1,3]Dithiolo[4,5-d][1,3]dithiole-2,5-dione
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
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^Y
SMILES C12=C(SC(=O)S1)SC(=O)S2
Properties
Chemical formula	C₄O₂S₄
Molar mass	208.28 gÂ·mol^â1
Density	2 g/cm³^[1]
Structure^[1]
Crystal structure	Monoclinic
Space group	P2₁/c
Lattice constant	a = 3.9321(8) Ã, b = 10.886(2) Ã, c = 8.3000(9) Ã Î± = 90Â°, Î² = 103.60(1)Â°, Î³ = 90Â°
Formula units (Z)	2
Molecular shape	D_2h
Dipole moment	0 D
Except where otherwise noted, data are given for materials in their standard state (at 25 Â°C [77 Â°F], 100 kPa). Infobox references