2-Benzothiazolamine,6-(trifluoromethoxy)-

The Riluzole is an organic compound with the formula C₈H₅F₃N₂OS. The IUPAC name of this chemical is 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine. With the CAS registry number 1744-22-5, it is also named as 2-Amino-6-trifluoromethoxybenzothiazole. The product's categories are Neuroprotective; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; GABA/Glycine Receptor; Glutamate. Besides, it may have clinical use in mood and anxiety disorders. It has been shown to have antidepressant properties in the treatment of refractory depression and as an anxiolytic in obsessive-compulsive disorder and in GAD.

Physical properties about Riluzole are: (1)ACD/LogP: 2.84; (2)ACD/LogD (pH 5.5): 2.84; (3)ACD/LogD (pH 7.4): 2.84; (4)ACD/BCF (pH 5.5): 84.23; (5)ACD/BCF (pH 7.4): 85.18; (6)ACD/KOC (pH 5.5): 828.83; (7)ACD/KOC (pH 7.4): 838.14; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 53.6 Å²; (12)Index of Refraction: 1.614; (13)Molar Refractivity: 51.94 cm³; (14)Molar Volume: 148.9 cm³; (15)Polarizability: 20.59×10^-24cm³; (16)Surface Tension: 49.2 dyne/cm; (17)Density: 1.572 g/cm³; (18)Flash Point: 133 °C; (19)Enthalpy of Vaporization: 53.6 kJ/mol; (20)Boiling Point: 296.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00145 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-trifluoromethoxy aniline and NH₄CNS. This reaction will need reagent Acetic acid and bromine. The yield is about 75%.

Uses of Riluzole: it can be used to produce 2-hydrazino-6-trifluoromethoxy-benzothiazole at temperature of 140 °C. It will need reagent hydrazine hydrate, hydrazine dihydrochloride and solvent ethane-1,2-diol with reaction time of 2 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. 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)SMILES: FC(F)(F)Oc1ccc2nc(sc2c1)N
(2)InChI: InChI=1/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
(3)InChIKey: FTALBRSUTCGOEG-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
(5)Std. InChIKey: FTALBRSUTCGOEG-UHFFFAOYSA-N

The toxicity data is as follows: