1-(4-ETHOXYPHENYL)-2-THIOUREA

This chemical is called Thiourea,N-(4-ethoxyphenyl)-, and its systematic name is 1-(4-Ethoxyphenyl)thiourea. With the molecular formula of C₉H₁₂N₂OS, its molecular weight is 196.27. The CAS registry number of the chemical is 880-29-5. 

Other characteristics of Thiourea,N-(4-ethoxyphenyl)- can be summarised as followings: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.9; (6)ACD/BCF (pH 7.4): 4.9; (7)ACD/KOC (pH 5.5): 108.54; (8)ACD/KOC (pH 7.4): 108.55; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.8 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 57.99 cm³; (15)Molar Volume: 158 cm³; (16)Polarizability: 22.99×10^-24cm³; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.241 g/cm³; (19)Flash Point: 149.9 °C; (20)Enthalpy of Vaporization: 56.63 kJ/mol; (21)Boiling Point: 324.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000248 mmHg at 25°C.

Uses of this chemical: The Thiourea,N-(4-ethoxyphenyl)- could react with 2-Bromo-1-(4-fluoro-2-methyl-phenyl)-ethanone, and obtain the (4-Ethoxy-phenyl)-[5-(4-fluoro-2-methyl-phenyl)-thiazol-2-yl]-amine. This reaction needs the solvent of Ethanol. The yield is 54.5 %. In addition, this reaction should be taken for 8 hours at heated condition.



When you are using this chemical, please be cautious about it as the following: This chemical toxic if swallowed, so do not breathe dust. Wear suitable protective clothing, gloves and eye/face protection when you use it. 

You can still convert the following datas into molecular structure:
1.SMILES: S=C(N)Nc1ccc(OCC)cc1
2.InChI: InChI=1/C9H12N2OS/c1-2-12-8-5-3-7(4-6-8)11-9(10)13/h3-6H,2H2,1H3,(H3,10,11,13)
3.InChIKey: QGLYTNIXHPCRCF-UHFFFAOYAF
4.Std. InChI: InChI=1S/C9H12N2OS/c1-2-12-8-5-3-7(4-6-8)11-9(10)13/h3-6H,2H2,1H3,(H3,10,11,13)
5.Std. InChIKey: QGLYTNIXHPCRCF-UHFFFAOYSA-N