4-Thiazoleacetic acid,2-amino-a-(hydroxyimino)-, (aZ)- (66338-96-3)

The 2-(2-Aminothiazole-4-yl)-2-hydroxyiminoacetic acid, with the CAS registry number 66338-96-3, has the systematic name of (2Z)-(2-amino-1,3-thiazol-4-yl)(hydroxyimino)ethanoic acid. For being a kind of yellow crystalline, it is widely applied as the pharmaceutics intermediate, such as the Latamoxef and this chemical belongs to the product categories which are cephalosporins.

The characteristics of this chemical are as follows: (1)ACD/LogP: -0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.85; (4)ACD/LogD (pH 7.4): -4.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 92.26 ; (13)Index of Refraction: 1.798; (14)Molar Refractivity: 41.42 cm³; (15)Molar Volume: 97 cm³; (16)Polarizability: 16.42 ×10^-24 cm³; (17)Surface Tension: 98.5 dyne/cm; (18)Density: 1.92 g/cm³; (19)Flash Point: 280 °C; (20)Enthalpy of Vaporization: 85.97 kJ/mol; (21)Boiling Point: 539.4 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-12 mmHg at 25°C.

Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(O)C(=N\O)/c1nc(sc1)N
(2)InChI:InChI=1/C5H5N3O3S/c6-5-7-2(1-12-5)3(8-11)4(9)10/h1,11H,(H2,6,7)(H,9,10)/b8-3-
(3)InChIKey:URGSBEYHHRKMJL-BAQGIRSFBQ