1-ETHYL-3-PHENYL-2-THIOUREA

The Thiourea,N-ethyl-N-phenyl-, with CAS registry number 3955-58-6, has the systematic name of 1-ethyl-3-phenylthiourea. Besides this, it is also called 1-ethyl-3-phenyl-2-thiourea. This chemical is a kind of white adhering powder. And it should kept in cool, dry place. The chemical formula of this chemical is C₉H₁₂N₂S.

Physical properties of Thiourea,N-ethyl-N-phenyl-: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.07; (6)ACD/BCF (pH 7.4): 7.07; (7)ACD/KOC (pH 5.5): 141.08; (8)ACD/KOC (pH 7.4): 141.08; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 56.01 cm³; (15)Molar Volume: 155.7 cm³; (16)Polarizability: 22.2×10^-24cm³; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.157 g/cm³; (19)Flash Point: 114 °C; (20)Enthalpy of Vaporization: 50.28 kJ/mol; (21)Boiling Point: 264.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00944 mmHg at 25°C.

Uses of Thiourea,N-ethyl-N-phenyl-: it can be used to produce ethyl-benzothiazol-2-yl-amine. This reaction will need reagents bromine, CHCl₃.

When you are using this chemical, please be cautious about it as the following:
The Thiourea,N-ethyl-N-phenyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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(Nc1ccccc1)NCC
(2)InChI: InChI=1/C9H12N2S/c1-2-10-9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12)
(3)InChIKey: OROCFDLTBPBLFS-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H12N2S/c1-2-10-9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12)
(5)Std. InChIKey: OROCFDLTBPBLFS-UHFFFAOYSA-N