1-(4-Ethoxyphenyl)thiourea

Base Information

• Chemical Name: 1-(4-Ethoxyphenyl)thiourea
• CAS No.: 880-29-5
• Molecular Formula: C9H12N2OS
• Molecular Weight: 196.273
• Hs Code.: 2930909090
• European Community (EC) Number: 212-912-8
• NSC Number: 31198
• DSSTox Substance ID: DTXSID10236752
• Nikkaji Number: J30.219H
• Mol file: 880-29-5.mol

Synonyms:1-(4-ethoxyphenyl)thiourea;880-29-5;(4-Ethoxyphenyl)thiourea;1-(4-Ethoxyphenyl)-2-thiourea;N-(4-ethoxyphenyl)thiourea;4-Ethoxyphenylthiourea;(p-Ethoxyphenyl)thiourea;4-Thioureidophenetole;Urea, 1-(p-ethoxyphenyl)-2-thio-;Thiourea, (4-ethoxyphenyl)-;Urea, 1-p-phenethyl-2-thio-;1-(p-Ethoxyphenyl)-2-thiourea;EINECS 212-912-8;p-ETHOXYPHENYLTHIOUREA;MFCD00039662;(4-Ethoxy-phenyl)-thiourea;NSC31198;p-ethoxyphenyl thiourea;1-(p-Ethoxyphenyl)thiourea;SCHEMBL2298908;DTXSID10236752;NSC 31198;NSC-31198;AKOS000118650;LS-160136;CS-0116713;FT-0633067;EN300-08539;D70951;A842438

Chemical Property of 1-(4-Ethoxyphenyl)thiourea

Chemical Property:

• Vapor Pressure: 0.000248mmHg at 25°C
• Melting Point: 173°C
• Refractive Index: 1.654
• Boiling Point: 324.3 °C at 760 mmHg
• Flash Point: 149.9 °C
• PSA: 79.37000
• Density: 1.241 g/cm³
• LogP: 2.51410
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 196.06703418
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

(4-Ethoxyphenyl)thiourea ^*data from reagent suppliers

Safty Information:

• Statements: 25
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)NC(=S)N

Technology Process of 1-(4-Ethoxyphenyl)thiourea

There total 9 articles about 1-(4-Ethoxyphenyl)thiourea which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 71.0%

N-(4-ethoxyphenyl)-N'-benzoylthiocarbamide (83697-75-0) → 1-(4-ethoxyphenyl)thiourea (880-29-5)

Guidance literature:

With sodium hydroxide; water; In ethanol; for 1h; Heating / reflux;

Reference yield:

ammonium thiocyanate (1147550-11-5) + 4-Ethoxyaniline (156-43-4) → 1-(4-ethoxyphenyl)thiourea (880-29-5)

Guidance literature:

With water; und man dampft auf dem Wasserbad 2-3mal zur Trockne;

Reference yield:

4-Ethoxyaniline (156-43-4) → 1-(4-ethoxyphenyl)thiourea (880-29-5)

Guidance literature:

Multi-step reaction with 2 steps

2: water; alcohol; ammonia

With ethanol; ammonia; water;

upstream raw materials:

potassium thioacyanate

4-Ethoxyaniline

ammonium thiocyanate

1-ethoxy-4-isothiocyanatobenzene

Downstream raw materials:

(4-ethoxy-phenyl)-(4-methyl-thiazol-2-yl)-amine

2-(p-ethoxyphenylamino)-4-(2'-pyrazinyl)thiazole

4-(3,4-Dihydroxyphenyl)-2-(p-ethoxyphenylamino)thiazole hydrochloride

4-(2,3,4-Trihydroxyphenyl)-2-(p-ethoxyphenylamino)thiazole hydrochloride

Refernces

• 1、 Ma, Chao,Wu, Anhui,Wu, Yongqi,Ren, Xuhong,Cheng, Maosheng. "Design and synthesis of N-Aryl isothioureas as a novel class of gastric H+/K+-ATPase inhibitors". . p. 891 - 900. Retrieved 2014/01/06.
• 2、 Gupta, Arun,Mishra, Pradeep,Pandeya,Kashaw, Sushil K.,Kashaw, Varsha,Stables, James P.. "Synthesis and anticonvulsant activity of some substituted 1,2,4-thiadiazoles". experimental part. p. 1100 - 1105. Retrieved 2009/08/10.