Name: 3,5-DIMETHYLPHENYLTHIOUREA
SKU: 97480-60-9

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Basic Information

Molecular Structure:
CAS No.:	97480-60-9
Name:	3,5-DIMETHYLPHENYLTHIOUREA
Article Data:	10

Formula:	C₉H₁₂N₂S
Molecular Weight:	180.274
Synonyms:	Thiourea,(3,5-dimethylphenyl)- (9CI);(3,5-Dimethylphenyl)thiourea;N-(3,5-Dimethylphenyl)thiourea;NSC 637006;
Density:	1.2 g/cm³
Melting Point:	168-172 °C(lit.)
Boiling Point:	293.9 °C at 760 mmHg
Flash Point:	131.5 °C
Hazard Symbols:	Xn,T
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	70.14000
LogP:	2.73220

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Specification

The Thiourea,N-(3,5-dimethylphenyl)- is an organic compound with the formula C₉H₁₂N₂S. The systematic name of this chemical is 1-(3,5-dimethylphenyl)thiourea. With the CAS registry number 97480-60-9, it is also named as (3,5-Dimethylphenyl)thiourea. The product's categories are Organic Building Blocks; Sulfur Compounds; Thioureas. Besides, it should be stored in a closed cool and dry place.

Physical properties about Thiourea,N-(3,5-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^-24cm³; (16)Surface Tension: 59.5 dyne/cm; (17)Density: 1.2 g/cm³; (18)Flash Point: 131.5 °C; (19)Enthalpy of Vaporization: 53.35 kJ/mol; (20)Boiling Point: 293.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00168 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-benzoyl-3-(3,5-dimethyl-phenyl)-thiourea. This reaction will need reagent 5 percent aq. NaOH. The reaction time is 9 min with reaction temperature of 80 - 85 °C. The yield is about 90%.

Uses of Thiourea,N-(3,5-dimethylphenyl)-: it can be used to produce C₁₀H₁₄N₂S*HI at ambient temperature. It will need solvent methanol with reaction time of 4 hours. The yield is about 81%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1cc(cc(c1)C)C)N
(2)InChI: InChI=1/C9H12N2S/c1-6-3-7(2)5-8(4-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
(3)InChIKey: XOAYHDJRYDSPJZ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H12N2S/c1-6-3-7(2)5-8(4-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
(5)Std. InChIKey: XOAYHDJRYDSPJZ-UHFFFAOYSA-N