1-(4-METHOXYBENZYL)-2-THIOUREA

The Thiourea,N-[(4-methoxyphenyl)methyl]-, with the CAS registry number of 37412-64-9, is also known as 1-(4-Methoxybenzyl)thiourea. Its molecular formula is C₉H₁₂N₂OS and molecular weight is 196.27. What's more, its IUPAC name is (4-Methoxyphenyl)methylthiourea.

Physical properties about the Thiourea,N-[(4-methoxyphenyl)methyl]- are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.28; (6)ACD/BCF (pH 7.4): 3.28; (7)ACD/KOC (pH 5.5): 81.43; (8)ACD/KOC (pH 7.4): 81.43; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.8 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 56.9 cm³; (15)Molar Volume: 163.7 cm³; (16)Surface Tension: 54.1 dyne/cm; (17)Density: 1.198 g/cm³; (18)Flash Point: 162.1 °C; (19)Enthalpy of Vaporization: 58.84 kJ/mol; (20)Boiling Point: 344.5 °C at 760 mmHg; (21)Vapour Pressure: 6.58E-05 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce (4-Methoxy-benzyl)-(4-methyl-thiazol-2-yl)-amine. This reaction needs reagent DMSO. Meanwhile, it needs solvent H₂O. The reaction time is 4 days with reaction temperature of 40 °C. The yield is about 70 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. 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(N)NCc1ccc(OC)cc1
(2) InChI: InChI=1/C9H12N2OS/c1-12-8-4-2-7(3-5-8)6-11-9(10)13/h2-5H,6H2,1H3,(H3,10,11,13)
(3) InChIKey: KCPZCBGTVXMSPQ-UHFFFAOYAC