2-Thiazolamine,4-(4-iodophenyl)- (31699-14-6)

The 4-(4-Iodophenyl)thiazol-2-ylamine, with the CAS registry number 31699-14-6, has the systematic name and IUPAC name of 4-(4-iodophenyl)-1,3-thiazol-2-amine. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₉H₇IN₂S.

The characteristics of 4-(4-Iodophenyl)thiazol-2-ylamine are as followings: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 121.79; (6)ACD/BCF (pH 7.4): 144.05; (7)ACD/KOC (pH 5.5): 1031.55; (8)ACD/KOC (pH 7.4): 1220.07; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.37 Å²; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 64.46 cm³; (15)Molar Volume: 161.7 cm³; (16)Polarizability: 25.55×10^-24cm³; (17)Surface Tension: 65 dyne/cm; (18)Density: 1.867 g/cm³; (19)Flash Point: 207.8 °C; (20)Enthalpy of Vaporization: 67.37 kJ/mol; (21)Boiling Point: 419.9 °C at 760 mmHg; (22)Vapour Pressure: 2.93E-07 mmHg at 25°C.    

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic2ccc(c1nc(sc1)N)cc2
(2)InChI: InChI=1/C9H7IN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
(3)InChIKey: CBCNLOOXYGEQQZ-UHFFFAOYAI