4-(5-BROMO-2-THIENYL)-1,3-THIAZOL-2-AMINE

The 2-Thiazolamine,4-(5-bromo-2-thienyl)-, with the CAS registry number 34801-14-4, is also known as 4-(5-Bromo-2-thienyl)-1,3-thiazole-2-ylamine. This chemical's molecular formula is C₇H₅BrN₂S₂ and molecular weight is 261.16. What's more, its systematic name is 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine. 

Physical properties of 2-Thiazolamine,4-(5-bromo-2-thienyl)- are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 43.27; (6)ACD/BCF (pH 7.4): 65.94; (7)ACD/KOC (pH 5.5): 457; (8)ACD/KOC (pH 7.4): 696.55; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 72.61 Å²; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 57.63 cm³; (15)Molar Volume: 145.3 cm³; (16)Surface Tension: 67.9 dyne/cm; (17)Density: 1.796 g/cm³; (18)Flash Point: 191 °C; (19)Enthalpy of Vaporization: 64.19 kJ/mol; (20)Boiling Point: 392.1 °C at 760 mmHg; (21)Vapour Pressure: 2.34E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-1-(5-bromo-thiophen-2-yl)-ethanone, thiourea by heating. This reaction will need solvent acetone with the reaction time of 30 min. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2sc(c1nc(sc1)N)cc2
(2)InChI: InChI=1S/C7H5BrN2S2/c8-6-2-1-5(12-6)4-3-11-7(9)10-4/h1-3H,(H2,9,10)
(3)InChIKey: MMZHPDCFNLBMBY-UHFFFAOYSA-N