N-METHYL-N-PHENYLTHIOUREA

The 1-Methyl-1-phenyl-thiourea, with the CAS registry number 4104-75-0, is also known as 1-Phenyl-1-methylthiourea. Its EINECS registry number is 223-877-3. This chemical's molecular formula is C₈H₁₀N₂S and molecular weight is 166.24. What's more, its IUPAC name is 1-Methyl-1-phenylthiourea.

Physical properties about 1-Methyl-1-phenyl-thiourea are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.61; (6)ACD/BCF (pH 7.4): 2.61; (7)ACD/KOC (pH 5.5): 69.08; (8)ACD/KOC (pH 7.4): 69.09; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 51.39 cm³; (15)Molar Volume: 136 cm³; (16)Polarizability: 20.37×10^-24 cm³; (17)Surface Tension: 63.9 dyne/cm; (18)Density: 1.221 g/cm³; (19)Flash Point: 115.3 °C; (20)Enthalpy of Vaporization: 50.51 kJ/mol; (21)Boiling Point: 267.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00831 mmHg at 25 °C.

Preparation of 1-Methyl-1-phenyl-thiourea: this chemical is prepared by 3-Benzoyl-1-methyl-1-phenyl-thiourea. The reaction needs reagent NH₂NH₂. The reaction time is 10 minutes with reaction temperature of 25 °C. The yield is about 98 %.

Uses of 1-Methyl-1-phenyl-thiourea: it is used to produce other chemicals. For example, it is used to produce S-Ethyl-N-methyl-N-phenyl-isothiourea; hydriodide by heating. The reaction needs solvent Acetone. The reaction time is 4 hours. The yield is about 86 %.

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, this chemical is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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(N(c1ccccc1)C)N
(2) InChI: InChI=1/C8H10N2S/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
(3) InChIKey: MCWZNJNWGQPUGL-UHFFFAOYAT