BIS(TRIMETHYLSILYL) SULFIDE

The Bis(trimethylsilyl)sulfide, with the CAS registry number 3385-94-2, is also known as Bis(trimethylsilyl)sulfide. It belongs to the product categories of Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry. Its EINECS number is 222-201-4. This chemical's molecular formula is C₆H₁₈SSi₂ and molecular weight is 178.44. What's more, its IUPAC name is trimethyl(trimethylsilylsulfanyl)silane. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.

Physical properties of Bis(trimethylsilyl)sulfide are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/BCF (pH 5.5): 285.06; (5)ACD/KOC (pH 5.5): 1990; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 25.3 Å²; (8)Index of Refraction: 1.432; (9)Molar Refractivity: 55.27 cm³; (10)Molar Volume: 213 cm³; (11)Surface Tension: 18.1 dyne/cm; (12)Density: 0.837 g/cm³; (13)Flash Point: 50.2 °C; (14)Enthalpy of Vaporization: 37.97 kJ/mol; (15)Boiling Point: 159.4 °C at 760 mmHg; (16)Vapour Pressure: 3.25 mmHg at 25°C.

Preparation: this chemical can be prepared by chloro-trimethyl-silane by heating. This reaction will need reagent S(MgBr)₂ and solvent tetrahydrofuran with the reaction time of 2 hours. The yield is about 85%.

Uses of Bis(trimethylsilyl)sulfide: it can be used to produce dimethyltrisulfane at the temperature of 60 °C. It will need solvent CHCl₃ with the reaction time of 14 hours. The yield is about 72.8%.

When you are using this chemical, please be cautious about it as the following:
It is flammable. It is toxic by inhalation, in contact with skin and if swallowed. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si](C)(C)S[Si](C)(C)C
(2)InChI: InChI=1S/C6H18SSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
(3)InChIKey: RLECCBFNWDXKPK-UHFFFAOYSA-N