Ethyl 2-(2-aminothiazol-4-yl)-2-methoxyiminoacetate

The Ethyl 2-(2-aminothiazol-4-yl)-2-methoxyiminoacetate, with the CAS registry number 64485-88-7, has the IUPAC name of ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate. Being a kind of beige to yellow fine crystalline powder, it is usually applied as the intermediate of medicines, such as for the cephalosporin fungi. And its product categories are including Pharmaceutical Intermediates.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3.4; (6)ACD/BCF (pH 7.4): 3.41; (7)ACD/KOC (pH 5.5): 83.58; (8)ACD/KOC (pH 7.4): 83.79; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 92.26; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 55.95 cm³; (15)Molar Volume: 162.1 cm³; (16)Polarizability: 22.18 ×10^-24 cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 173.6 °C; (20)Enthalpy of Vaporization: 60.94 kJ/mol; (21)Boiling Point: 363.4 °C at 760 mmHg; (22)Vapour Pressure: 1.81E-05 mmHg at 25°C; (23)Exact Mass: 229.052112; (24)MonoIsotopic Mass: 229.052112; (25)Topological Polar Surface Area: 115; (26)Heavy Atom Count: 15; (27)Complexity: 260.

When you are dealing with this chemical, you should be very careful. This is irritant which may cause inflammation to the skin or other mucous membranes, and it is irritating to eyes, respiratory system and skin. Therefore, you should take the following instructions. Wear suitable protective clothing and gloves, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCOC(=O)C(=NOC)C1=CSC(=N1)N
(2)Isomeric SMILES: CCOC(=O)/C(=N\OC)/C1=CSC(=N1)N
(3)InChI: InChI=1S/C8H11N3O3S/c1-3-14-7(12)6(11-13-2)5-4-15-8(9)10-5/h4H,3H2,1-2H3,(H2,9,10)/b11-6-
(4)InChIKey: POBMBNPEUPDXRS-WDZFZDKYSA-N