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| CAS No.: | 22265-78-7 |
|---|---|
| Name: | 1-(4-ETHYLPHENYL)-2-THIOUREA |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C9H12N2S |
| Molecular Weight: | 180.274 |
| Synonyms: | Thiourea,(4-ethylphenyl)- (9CI);Urea, 1-(p-ethylphenyl)-2-thio- (8CI);4-Ethylphenylthiourea; |
| Density: | 1.198 g/cm3 |
| Melting Point: | 138 °C |
| Boiling Point: | 294.8 °C at 760 mmHg |
| Flash Point: | 132.1 °C |
| Risk Codes: | 20/21/22 |
| Safety: | 22-36/37/39 |
| PSA: | 70.14000 |
| LogP: | 2.67780 |
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- Total:9 Page 1 of 1 1
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Specification
The Thiourea,N-(4-ethylphenyl)- is an organic compound with the formula C9H12N2S. The systematic name of this chemical is 1-(4-ethylphenyl)thiourea. With the CAS registry number 22265-78-7, it is also named as {N}-(4-ethylphenyl)thiourea.
Physical properties about Thiourea,N-(4-ethylphenyl)- are: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): 1.72; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 11.97; (5)ACD/BCF (pH 7.4): 11.98; (6)ACD/KOC (pH 5.5): 205.8; (7)ACD/KOC (pH 7.4): 205.8; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 38.57 Å2; (12)Index of Refraction: 1.67; (13)Molar Refractivity: 56.23 cm3; (14)Molar Volume: 150.3 cm3; (15)Polarizability: 22.29×10-24cm3; (16)Surface Tension: 59.9 dyne/cm; (17)Density: 1.198 g/cm3; (18)Flash Point: 132.1 °C; (19)Enthalpy of Vaporization: 53.45 kJ/mol; (20)Boiling Point: 294.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00158 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-benzoyl-3-(4-ethyl-phenyl)-thiourea. This reaction will need reagent 5 percent aq. NaOH. The reaction time is 13 min with reaction temperature of 85 °C. The yield is about 87%.
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Uses of Thiourea,N-(4-ethylphenyl)-: it can be used to produce C10H14N2S*HI at ambient temperature. It will need reagent methanol with reaction time of 1 hour. The yield is about 69%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1ccc(cc1)CC)N
(2)InChI: InChI=1/C9H12N2S/c1-2-7-3-5-8(6-4-7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
(3)InChIKey: NTABUDGUFJFVNZ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H12N2S/c1-2-7-3-5-8(6-4-7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12)
(5)Std. InChIKey: NTABUDGUFJFVNZ-UHFFFAOYSA-N