1-(2-FLUOROPHENYL)-2-THIOUREA

The Thiourea,N-(2-fluorophenyl)-, with the CAS registry number 656-32-6, is also known as 1-(2-Fluorophenyl)thiourea. It belongs to the product category of Heterocycles. This chemical's molecular formula is C₇H₇FN₂S and molecular weight is 170.21. What's more, its IUPAC name is (2-Fluorophenyl)thiourea. It should be sealed and stored in a cool and dry place and be protected from oxidizes.

Physical properties of Thiourea,N-(2-fluorophenyl)- are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.99; (6)ACD/BCF (pH 7.4): 1.99; (7)ACD/KOC (pH 5.5): 56.87; (8)ACD/KOC (pH 7.4): 56.87; (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^-24 cm³; (17)Surface Tension: 67.3 dyne/cm; (18)Density: 1.397 g/cm³; (19)Flash Point: 109.2 °C; (20)Enthalpy of Vaporization: 49.46 kJ/mol; (21)Boiling Point: 257 °C at 760 mmHg; (22)Vapour Pressure: 0.0149 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-Benzoyl-3-(2-fluoro-phenyl)-thiourea at the temperature of 100 °C. This reaction will need reagent NaOH. The yield is about 88%.

Uses of Thiourea,N-(2-fluorophenyl)-: it can be used to produce 4-Fluoro-benzothiazol-2-ylamine at the ambient temperature. It will need reagent Br₂ and solvent CHCl₃.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation and if swallowed. When using it, you need wear suitable protective clothing, gloves and eye/face protection and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)NC(=S)N)F
(2)InChI: InChI=1S/C7H7FN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
(3)InChIKey: WYVZQQOFMQRNPF-UHFFFAOYSA-N