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Thiourea,N-(3,5-dimethylphenyl)-

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Name

Thiourea,N-(3,5-dimethylphenyl)-

EINECS N/A
CAS No. 97480-60-9 Density 1.2 g/cm3
PSA 70.14000 LogP 2.73220
Solubility N/A Melting Point 168-172 °C(lit.)
Formula C9H12N2S Boiling Point 293.9 °C at 760 mmHg
Molecular Weight 180.274 Flash Point 131.5 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 97480-60-9 (3,5-DIMETHYLPHENYLTHIOUREA) Hazard Symbols HarmfulXn,ToxicT
Synonyms

Thiourea,(3,5-dimethylphenyl)- (9CI);(3,5-Dimethylphenyl)thiourea;N-(3,5-Dimethylphenyl)thiourea;NSC 637006;

Article Data 10

Thiourea,N-(3,5-dimethylphenyl)- 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

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