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Thiourea,N-(2,5-dimethoxyphenyl)-

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Name

Thiourea,N-(2,5-dimethoxyphenyl)-

EINECS N/A
CAS No. 67617-98-5 Density 1.282 g/cm3
PSA 88.60000 LogP 2.13260
Solubility N/A Melting Point 160 °C
Formula C9H12N2O2S Boiling Point 350 °C at 760 mmHg
Molecular Weight 212.272 Flash Point 165.4 °C
Transport Information N/A Appearance N/A
Safety 22-36/37-45 Risk Codes 25
Molecular Structure Molecular Structure of 67617-98-5 (1-(2,5-DIMETHOXYPHENYL)-2-THIOUREA) Hazard Symbols R25:Toxic if swallowed.;
Synonyms

1-(2,5-Dimethoxyphenyl)thiourea;

Article Data 9

Thiourea,N-(2,5-dimethoxyphenyl)- 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

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