1-(2,6-DIMETHYLPHENYL)-2-THIOUREA

The Thiourea,N-(2,6-dimethylphenyl)-, with the CAS registry number 6396-76-5, is also known as 1-(2,6-Xylyl)thiourea. Its EINECS registry number is 229-005-8. This chemical's molecular formula is C₉H₁₂N₂S and molecular weight is 180.27. Its IUPAC name is called (2,6-dimethylphenyl)thiourea. The product should be sealed and stored in cool and dry place.

Physical properties of Thiourea,N-(2,6-dimethylphenyl)-: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 1.65; (3)ACD/LogD (pH 7.4): 1.65; (4)ACD/BCF (pH 5.5): 10.57; (5)ACD/BCF (pH 7.4): 10.57; (6)ACD/KOC (pH 5.5): 188.23; (7)ACD/KOC (pH 7.4): 188.23; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.674; (12)Molar Refractivity: 56.33 cm³; (13)Molar Volume: 150.1 cm³; (14)Surface Tension: 59.5 dyne/cm; (15)Density: 1.2 g/cm³; (16)Flash Point: 125.8 °C; (17)Enthalpy of Vaporization: 52.34 kJ/mol; (18)Boiling Point: 284.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00298 mmHg at 25°C.

Uses of Thiourea,N-(2,6-dimethylphenyl)-: it can be used to produce C₁₀H₁₄N₂S*HI. This reaction will need solvent acetone with reaction time of 18 hours. The yield is about 84%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. You should not breathe its dust. Whenever you will contact it, please wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=S)N
(2)InChI: InChI=1S/C9H12N2S/c1-6-4-3-5-7(2)8(6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
(3)InChIKey: ASNKJUONFPQYPC-UHFFFAOYSA-N