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108306-53-2

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Basic Information
CAS No.: 108306-53-2
Name: 4-BROMO-2-(TRIMETHYLSILYL)THIAZOLE
Article Data: 6
Molecular Structure:
Molecular Structure of 108306-53-2 (4-BROMO-2-(TRIMETHYLSILYL)THIAZOLE)
Formula: C6H10BrNSSi
Molecular Weight: 236.208
Synonyms: 4-Bromo-2-(trimethylsilyl)thiazole;4-Bromo-2-trimethylsilanylthiazole;
Density: 1.38 g/cm3
Boiling Point: 226.1 °C at 760 mmHg
Flash Point: 90.6 °C
Appearance: Pale yellow clear liquid
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 41.13000
LogP: 2.45080
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Specification

This chemical is called Thiazole,4-bromo-2-(trimethylsilyl)-, and its systematic name is 4-Bromo-2-(trimethylsilyl)-1,3-thiazole. With the molecular formula of C6H10BrNSSi, its molecular weight is 236.20. The CAS registry number of the chemical is 108306-53-2. Additionally, its product categories are Halogenated; Organohalides; Thiazole. 

Other characteristics of Thiazole,4-bromo-2-(trimethylsilyl)- can be summarised as followings: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 87.83; (6)ACD/BCF (pH 7.4): 87.83; (7)ACD/KOC (pH 5.5): 856.75; (8)ACD/KOC (pH 7.4): 856.77; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 53.05 cm3; (15)Molar Volume: 170.8 cm3; (16)Polarizability: 21.03×10-24cm3; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 90.6 °C; (20)Enthalpy of Vaporization: 44.39 kJ/mol; (21)Boiling Point: 226.1 °C at 760 mmHg; (22)Vapour Pressure: 0.125 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1nc(sc1)[Si](C)(C)C
2.InChI: InChI=1/C6H10BrNSSi/c1-10(2,3)6-8-5(7)4-9-6/h4H,1-3H3
3.InChIKey: WLQGXFSBIGJXDA-UHFFFAOYAK
4.Std. InChI: InChI=1S/C6H10BrNSSi/c1-10(2,3)6-8-5(7)4-9-6/h4H,1-3H3
5.Std. InChIKey: WLQGXFSBIGJXDA-UHFFFAOYSA-N