1-(4-ETHYLPHENYL)-2-THIOUREA

The Thiourea,N-(4-ethylphenyl)- is an organic compound with the formula C₉H₁₂N₂S. The systematic name of this chemical is 1-(4-ethylphenyl)thiourea. With the CAS registry number 22265-78-7, it is also named as {N}-(4-ethylphenyl)thiourea.

Physical properties about Thiourea,N-(4-ethylphenyl)- are: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): 1.72; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 11.97; (5)ACD/BCF (pH 7.4): 11.98; (6)ACD/KOC (pH 5.5): 205.8; (7)ACD/KOC (pH 7.4): 205.8; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 38.57 Å²; (12)Index of Refraction: 1.67; (13)Molar Refractivity: 56.23 cm³; (14)Molar Volume: 150.3 cm³; (15)Polarizability: 22.29×10^-24cm³; (16)Surface Tension: 59.9 dyne/cm; (17)Density: 1.198 g/cm³; (18)Flash Point: 132.1 °C; (19)Enthalpy of Vaporization: 53.45 kJ/mol; (20)Boiling Point: 294.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00158 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-benzoyl-3-(4-ethyl-phenyl)-thiourea. This reaction will need reagent 5 percent aq. NaOH. The reaction time is 13 min with reaction temperature of 85 °C. The yield is about 87%.

Uses of Thiourea,N-(4-ethylphenyl)-: it can be used to produce C₁₀H₁₄N₂S*HI at ambient temperature. It will need reagent methanol with reaction time of 1 hour. The yield is about 69%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1ccc(cc1)CC)N
(2)InChI: InChI=1/C9H12N2S/c1-2-7-3-5-8(6-4-7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
(3)InChIKey: NTABUDGUFJFVNZ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H12N2S/c1-2-7-3-5-8(6-4-7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
(5)Std. InChIKey: NTABUDGUFJFVNZ-UHFFFAOYSA-N