Thiourea,N-(4-cyanophenyl)-

The Thiourea,N-(4-cyanophenyl)-, with the CAS registry number 3460-55-7, is also known as 1-(4-Cyanophenyl)thiourea. It belongs to the product categories of Organic Building Blocks; Sulfur Compounds; Thioureas. This chemical's molecular formula is C₈H₇N₃S and molecular weight is 177.23. What's more, its IUPAC name is (4-Cyanophenyl)thiourea. It is stable at room temperature and pressure, and it should be sealed and stored in a cool and dry place and be protected from light.

Physical properties of Thiourea,N-(4-cyanophenyl)- are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 1.87; (6)ACD/BCF (pH 7.4): 1.87; (7)ACD/KOC (pH 5.5): 54.43; (8)ACD/KOC (pH 7.4): 54.43; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.36 Å²; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 50.33 cm³; (15)Molar Volume: 133.2 cm³; (16)Polarizability: 19.95×10^-24 cm³; (17)Surface Tension: 78 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 165.5 °C; (20)Enthalpy of Vaporization: 59.46 kJ/mol; (21)Boiling Point: 350 °C at 760 mmHg; (22)Vapour Pressure: 4.52E-05 mmHg at 25 °C.

Uses of Thiourea,N-(4-cyanophenyl)-: it can be used to produce C₉H₉N₃S. It will need reagents iodomethane and NH₃ and solvent acetone. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if it is swallowed and it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C#N)NC(=S)N
(2)InChI: InChI=1S/C8H7N3S/c9-5-6-1-3-7(4-2-6)11-8(10)12/h1-4H,(H3,10,11,12)
(3)InChIKey: LFMJROANUIRGBS-UHFFFAOYSA-N