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| CAS No.: | 17873-08-4 |
|---|---|
| Name: | (PHENYLTHIOMETHYL)TRIMETHYLSILANE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C10H16SSi |
| Molecular Weight: | 196.389 |
| Synonyms: | Silane,trimethyl[(phenylthio)methyl]- (6CI,8CI,9CI);(Phenylthio)(trimethylsilyl)methane;Phenyl (trimethylsilyl)methyl sulfide;Trimethyl(phenylthiomethyl)silane;Trimethylsilyl(phenylthio)methane;Trimethylsilylmethyl phenyl sulfide;[(Phenylthio)methyl]trimethylsilane; |
| Density: | 0.95 g/cm3 |
| Boiling Point: | 253.5 °C at 760 mmHg |
| Flash Point: | 97.7 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20-38 |
| Safety: | 23-28 |
| Transport Information: | UN 1993 |
| PSA: | 25.30000 |
| LogP: | 4.07440 |
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Specification
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.
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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.
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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