1-(4-Fluorophenyl)-2-thiourea

This chemical is called 4-Fluorophenylthiourea, and its systematic name is 1-(4-fluorophenyl)thiourea. With the CAS registry number of 459-05-2, its product category is Heterocycles. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides.

Other characteristics of the 4-Fluorophenylthiourea can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.62; (6)ACD/BCF (pH 7.4): 4.62; (7)ACD/KOC (pH 5.5): 104.02; (8)ACD/KOC (pH 7.4): 104.02; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 46.68 cm³; (15)Molar Volume: 121.7 cm³; (16)Polarizability: 18.5×10^-24cm³; (17)Surface Tension: 67.3 dyne/cm; (18)Density: 1.397 g/cm³; (19)Flash Point: 113.6 °C; (20)Enthalpy of Vaporization: 50.2 kJ/mol; (21)Boiling Point: 264.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00987 mmHg at 25°C.

Production method of this chemical: The 4-Fluorophenylthiourea could be obtained by the reactant of N-benzoyl-N'-(4-fluoro-phenyl)-thiourea. This reaction needs the reagent of 2,5 N NaOH. The yield is 70 %. In addition, this reaction should be taken at the temperature of 100 °C.

Uses of this chemical: The 4-Fluorophenylthiourea could react with tert-butyl-methylene-amine, and obtain the 5-tert-butyl-1-(4-fluoro-phenyl)-[1,3,5]triazinane-2-thione. The yield is 91 %. In addition, this reaction should be taken for 4 hours with the heating.

When you are using this chemical, please be cautious about it as the following: This chemical is toxic if swallowed. It's irritating to eyes. Wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: S=C(Nc1ccc(F)cc1)N
2.InChI: InChI=1/C7H7FN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
3.InChIKey: BRWKXKNZRVALNZ-UHFFFAOYAX