Benzene,[[(trimethylsilyl)methyl]thio]- (17873-08-4)

This chemical is called Trimethyl(phenylthiomethyl)silane, and it can also be named as benzene, [[(trimethylsilyl)methyl]thio]-. With the molecular formula C₁₀H₁₆SSi, its molecular weight is 196.38. The CAS registry number of this chemical is 17873-08-4, and its product categories are Si (Classes of Silicon Compounds); Si-(C)4 Compounds; Silicon Compounds (for Synthesis); Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry.

Other characteristics of the Trimethyl(phenylthiomethyl)silane can be summarised as followings: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1006.76; (6)ACD/BCF (pH 7.4): 1006.76; (7)ACD/KOC (pH 5.5): 4910.15; (8)ACD/KOC (pH 7.4): 4910.15; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 62.03 cm³; (15)Molar Volume: 205.5 cm³; (16)Polarizability: 24.59×10^-24cm³; (17)Surface Tension: 28.8 dyne/cm; (18)Density: 0.95 g/cm³; (19)Flash Point: 97.7 °C; (20)Enthalpy of Vaporization: 47.1 kJ/mol; (21)Boiling Point: 253.5 °C at 760 mmHg; (22)Vapour Pressure: 0.029 mmHg at 25°C.

Production method of this chemical: The Trimethyl(phenylthiomethyl)silane could be obtained by the reactants of chloro-trimethyl-silane, phenylsulfanylmethyl-lithium, the solvents of tetrahydrofuran and hexane, and the yield is 95 %. In addition, this reaction should be  taken for 1 hour with the heating.



Uses of this chemical: The (benzenesulfonyl-methyl)-trimethyl-silane could be obtained by the reagents of monoperoxyphthalic acid and diethyl ether, the reactant of the Trimethyl(phenylthiomethyl)silane.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, so do not breathe vapour. It is irritating to skin, after contacting with skin, wash immediately with plenty of soap-suds.
 
You can still convert the following datas into molecular structure: 
(1)SMILES: S(c1ccccc1)C[Si](C)(C)C
(2)InChI: InChI=1/C10H16SSi/c1-12(2,3)9-11-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
(3)InChIKey: UOQDIMYVQSHALM-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H16SSi/c1-12(2,3)9-11-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 
(5)Std. InChIKey: UOQDIMYVQSHALM-UHFFFAOYSA-N