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| CAS No.: | 67617-98-5 |
|---|---|
| Name: | 1-(2,5-DIMETHOXYPHENYL)-2-THIOUREA |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H12N2O2S |
| Molecular Weight: | 212.272 |
| Synonyms: | 1-(2,5-Dimethoxyphenyl)thiourea; |
| Density: | 1.282 g/cm3 |
| Melting Point: | 160 °C |
| Boiling Point: | 350 °C at 760 mmHg |
| Flash Point: | 165.4 °C |
| Hazard Symbols: | R25:Toxic if swallowed.; |
| Risk Codes: | 25 |
| Safety: | 22-36/37-45 |
| PSA: | 88.60000 |
| LogP: | 2.13260 |
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- Total:12 Page 1 of 1 1
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Specification
The Thiourea,N-(2,5-dimethoxyphenyl)-, with the CAS registry number of 67617-98-5, is also known as 1-(2,5-Dimethoxyphenyl)thiourea. Its molecular formula is C9H12N2O2S and molecular weight is 212.27. What's more, its IUPAC name is (2,5-Dimethoxyphenyl)thiourea. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, keep it away from oxidant.
Physical properties about the Thiourea,N-(2,5-dimethoxyphenyl)- are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 3.03; (6)ACD/BCF (pH 7.4): 3.03; (7)ACD/KOC (pH 5.5): 77.02; (8)ACD/KOC (pH 7.4): 77.02; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.03 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 60.04 cm3; (15)Molar Volume: 165.5 cm3; (16)Surface Tension: 57 dyne/cm; (17)Density: 1.282 g/cm3; (18)Flash Point: 165.4 °C; (19)Enthalpy of Vaporization: 59.45 kJ/mol; (20)Boiling Point: 350 °C at 760 mmHg; (21)Vapour Pressure: 4.54E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, the dust of this chemical can not be breathed. It is toxic if swallowed. In addition, during using it, wear suitable protective clothing, 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) SMILES: S=C(Nc1cc(OC)ccc1OC)N
(2) InChI: InChI=1/C9H12N2O2S/c1-12-6-3-4-8(13-2)7(5-6)11-9(10)14/h3-5H,1-2H3,(H3,10,11,14)
(3) InChIKey: ZLGQKHQZDDTIFW-UHFFFAOYAD