1-(4-ISOPROPYLPHENYL)-2-THIOUREA

The Thiourea,N-[4-(1-methylethyl)phenyl]-, with the CAS registry number of 65259-91-8, is also known as 1-(4-Iso-Propylphenyl)-2-thiourea. Its molecular formula is C₁₀H₁₄N₂S and molecular weight is 194.3. What's more, its IUPAC name is (4-Propan-2-ylphenyl)thiourea.

Physical properties about the Thiourea,N-[4-(1-methylethyl)phenyl]- are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 21.99; (6)ACD/BCF (pH 7.4): 21.99; (7)ACD/KOC (pH 5.5): 318; (8)ACD/KOC (pH 7.4): 318.01; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 60.87 cm³; (15)Molar Volume: 167.6 cm³; (16)Surface Tension: 55.1 dyne/cm; (17)Density: 1.159 g/cm³; (18)Flash Point: 134.3 °C; (19)Enthalpy of Vaporization: 53.83 kJ/mol; (20)Boiling Point: 298.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00127 mmHg at 25 °C.

Preparation: this chemical can be obtained by 1-Benzoyl-3-(4-isopropyl-phenyl)-thiourea. The reaction needs reagent NaOH. The reaction time is 8 min with reaction temperature of 80 - 85 °C. The yield is about 92 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-(4-Isopropyl-phenylamino)-1-thia-3,9,10-triaza-anthracen-4-one. This reaction needs solvent Ethanol. The reaction time is 4 h. The yield is about 46 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(Nc1ccc(cc1)C(C)C)N
(2) InChI: InChI=1/C10H14N2S/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)
(3) InChIKey: HYJQJTWSGAJMDV-UHFFFAOYAS