4-(2-Amino-1,3-thiazol-4-yl)benzonitrile (436151-85-8)

The cas register number of 4-(2-Amino-1,3-thiazol-4-yl)benzonitrile is 436151-85-8. The Systematic name about this chemical is 4-(2-amino-1,3-thiazol-4-yl)benzonitrile.

Physical properties about 4-(2-Amino-1,3-thiazol-4-yl)benzonitrile are: (1)ACD/LogP: 1.46; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 1.46; (4)ACD/BCF (pH 5.5): 7.01; (5)ACD/BCF (pH 7.4): 7.52; (6)ACD/KOC (pH 5.5): 137.45; (7)ACD/KOC (pH 7.4): 147.47; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 68.16Ų; (12)Index of Refraction: 1.683; (13)Molar Refractivity: 55.58 cm³; (14)Molar Volume: 146.5 cm³; (15)Polarizability: 22.03x10^-24cm³; (16)Surface Tension: 76.5 dyne/cm; (17)Enthalpy of Vaporization: 69.79 kJ/mol; (18)Vapour Pressure: 5.77E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc(c1nc(sc1)N)cc2
(2)InChI: InChI=1/C10H7N3S/c11-5-7-1-3-8(4-2-7)9-6-14-10(12)13-9/h1-4,6H,(H2,12,13)
(3)InChIKey: KKMZKOIZTSRIEM-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H7N3S/c11-5-7-1-3-8(4-2-7)9-6-14-10(12)13-9/h1-4,6H,(H2,12,13)
(5)Std. InChIKey: KKMZKOIZTSRIEM-UHFFFAOYSA-N