2-Benzothiazolamine,6-bromo- (15864-32-1)

The 2-Amino-6-bromobenzothiazole, with the CAS registry number 15864-32-1, has the IUPAC name of 6-bromo-1,3-benzothiazol-2-amine. Being a kind of white to light yellow crystal powder, its product categories are including Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiazoles; ThiazolesHeterocyclic Building Blocks.
 
The physical properties of this chemical are as follows: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.62; (6)ACD/BCF (pH 7.4): 62.27; (7)ACD/KOC (pH 5.5): 662.77; (8)ACD/KOC (pH 7.4): 669.78; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.37; (13)Index of Refraction: 1.783; (14)Molar Refractivity: 52.49 cm³; (15)Molar Volume: 124.7 cm³; (16)Polarizability: 20.81×10^-24 cm³; (17)Surface Tension: 73.1 dyne/cm; (18)Density: 1.836 g/cm³; (19)Flash Point: 175.7 °C; (20)Enthalpy of Vaporization: 61.33 kJ/mol; (21)Boiling Point: 366.8 °C at 760 mmHg; (22)Vapour Pressure: 1.42E-05 mmHg at 25°C; (23)Exact Mass: 227.935681; (24)MonoIsotopic Mass: 227.935681; (25)Topological Polar Surface Area: 67.2; (26)Heavy Atom Count: 11; (27)Complexity: 155.

The production method of this chemical: (4-bromo-phenyl)-thiourea could react to produce 2-Amino-6-bromobenzothiazole. This reaction could happen in the presence of the reagent of Br₂, and the solvent of CHCl₃.

The use of this chemical: 2-Amino-6-bromobenzothiazole could react with iodomethane to produce 6-bromo-3-methyl-3H-benzothiazol-2-ylideneamine. This reaction could happen in the presence of the solvent of ethanol in the condition of heating.

When you are dealing with this chemical, you should be very cautious. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes, and it may cause sensitisation by skin contact; For another thing, it is harmful which may cause damage to health. Therefore, you should wear suitable protective clothing and gloves, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1Br)SC(=N2)N
(2)InChI: InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
(3)InChIKey: VZEBSJIOUMDNLY-UHFFFAOYSA-N