4-(5-BROMO-2-THIENYL)-2-PYRIMIDINAMINE

The 2-Pyrimidinamine,4-(5-bromo-2-thienyl)- is an organic compound with the formula C₈H₆BrN₃S. The systematic name of this chemical is 4-(5-Bromothiophen-2-yl)pyrimidin-2-amine. With the CAS registry number 855308-66-6, it is also named as 4-(5-Bromo-2-thienyl)-2-pyrimidinamine. Besides, its molecular weight is 256.12.

The physical properties of 2-Pyrimidinamine,4-(5-bromo-2-thienyl)- are: (1)ACD/LogP: 2.10; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.1; (4)ACD/BCF (pH 5.5): 23.05; (5)ACD/BCF (pH 7.4): 23.23; (6)ACD/KOC (pH 5.5): 328.12; (7)ACD/KOC (pH 7.4): 330.69; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 57.26 Å²; (12)Index of Refraction: 1.695; (13)Molar Refractivity: 57.33 cm³; (14)Molar Volume: 149.1 cm³; (15)Polarizability: 22.73×10^-24 cm³; (16)Surface Tension: 68.1 dyne/cm; (17)Density: 1.717 g/cm³; (18)Flash Point: 214.8 °C; (19)Enthalpy of Vaporization: 68.72 kJ/mol; (20)Boiling Point: 431.6 °C at 760 mmHg; (21)Vapour Pressure: 1.18E-07 mmHg at 25 °C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2sc(c1nc(ncc1)N)cc2
(2)InChI: InChI=1/C8H6BrN3S/c9-7-2-1-6(13-7)5-3-4-11-8(10)12-5/h1-4H,(H2,10,11,12)
(3)InChIKey: KXVXIEVIIDZAHN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H6BrN3S/c9-7-2-1-6(13-7)5-3-4-11-8(10)12-5/h1-4H,(H2,10,11,12)
(5)Std. InChIKey: KXVXIEVIIDZAHN-UHFFFAOYSA-N