1,3,4,6-TETRATHIAPENTALENE-2,5-DIONE

The [1,3]Dithiolo[4,5-d]-1,3-dithiole-2,5-dione, with the CAS registry number 64394-45-2, is also known as 1,3,4,6-Tetrathiapentalene-2,5-dione. It belongs to the product categories of Heterocyclic Compounds; Charge Transfer Complexes (Synthetic Intermediates); Charge Transfer Complexes for Organic Metals; Functional Materials. This chemical's molecular formula is C₄O₂S₄ and molecular weight is 208.3016. Its IUPAC name is called [1,3]dithiolo[4,5-d][1,3]dithiole-2,5-dione. The product should be sealed and stored in cool and dry place.

Physical properties of [1,3]Dithiolo[4,5-d]-1,3-dithiole-2,5-dione: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.67; (3)ACD/LogD (pH 7.4): 0.67; (4)ACD/BCF (pH 5.5): 1.89; (5)ACD/BCF (pH 7.4): 1.89; (6)ACD/KOC (pH 5.5): 54.82; (7)ACD/KOC (pH 7.4): 54.82; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.93; (10)Molar Refractivity: 48.22 cm³; (11)Molar Volume: 101.2 cm³; (12)Surface Tension: 114.3 dyne/cm; (13)Density: 2.05 g/cm³; (14)Flash Point: 194.7 °C; (15)Enthalpy of Vaporization: 64.28 kJ/mol; (16)Boiling Point: 393 °C at 760 mmHg; (17)Vapour Pressure: 2.19E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-Thioxo[1,3]dithiolo[4,5-d]-1,3-dithiol-2-on. This reaction will need reagent Hg(OAc)₂ and solvent acetic acid, CH₂Cl₂.

Uses of [1,3]Dithiolo[4,5-d]-1,3-dithiole-2,5-dione: it can be used to produce 2,5,7,9-Tetrathiabicyclo[4.3.0]non-1(6)-en-8-one.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1SC=2SC(=O)SC=2S1
(2)InChI: InChI=1/C4O2S4/c5-3-7-1-2(9-3)10-4(6)8-1
(3)InChIKey: XMQJUIFJLYEFQR-UHFFFAOYAU