(2,5-xylyl)thiourea

The Thiourea,N-(2,5-dimethylphenyl)- is an organic compound with the formula C₉H₁₂N₂S. The IUPAC name of this chemical is (2,5-Dimethylphenyl)thiourea. With the CAS registry number 16738-19-5, it is also named as 2-Thio-1-(2,5-xylyl)urea. Besides, its molecular weight is 180.27.

Physical properties about Thiourea,N-(2,5-dimethylphenyl)- are: (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): 188.22; (7)ACD/KOC (pH 7.4): 188.23; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 38.57 Å²; (12)Index of Refraction: 1.674; (13)Molar Refractivity: 56.33 cm³; (14)Molar Volume: 150.1 cm³; (15)Polarizability: 22.33×10^-24 cm³; (16)Surface Tension: 59.5 dyne/cm; (17)Density: 1.2 g/cm³; (18)Flash Point: 128.1 °C; (19)Enthalpy of Vaporization: 52.74 kJ/mol; (20)Boiling Point: 288.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00237 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-Benzoyl-3-(2,5-dimethyl-phenyl)-thiourea. This reaction will need reagent 5 percent aq. NaOH. The reaction time is 8 min with reaction temperature of 80 - 85 °C. The yield is about 95%.

Uses of Thiourea,N-(2,5-dimethylphenyl)-: it can be used to produce C₁₀H₁₄N₂S•HI. It will need reagent methanol with reaction time of 18 hours. The yield is about 91%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H12N2S/c1-6-3-4-7(2)8(5-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
(2)InChIKey: VSUIANYSDDKYJI-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C9H12N2S/c1-6-3-4-7(2)8(5-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
(4)Std. InChIKey: VSUIANYSDDKYJI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	oral	50mg/kg (50mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 46, 1953.