(2-Ethylphenyl)thiourea

Base Information

• Chemical Name: (2-Ethylphenyl)thiourea
• CAS No.: 22265-77-6
• Molecular Formula: C9H12N2S
• Molecular Weight: 180.274
• Hs Code.: 2930909090
• European Community (EC) Number: 854-103-8
• DSSTox Substance ID: DTXSID90374545
• Wikidata: Q82163162
• ChEMBL ID: CHEMBL1087472
• Mol file: 22265-77-6.mol

Synonyms:22265-77-6;(2-ethylphenyl)thiourea;1-(2-ethylphenyl)thiourea;1-(2-Ethylphenyl)-2-thiourea;N-(2-ethylphenyl)thiourea;Thiourea,N-(2-ethylphenyl)-;CHEMBL1087472;SCHEMBL5527102;DTXSID90374545;ISVJHJWDRDOAGH-UHFFFAOYSA-N;BDBM50356168;MFCD00041373;AKOS000369958;1-(2-ethylphenyl)-2-thiourea, AldrichCPR;CS-0116695;FT-0682090;EN300-28853;A816070

Chemical Property of (2-Ethylphenyl)thiourea

Chemical Property:

• Vapor Pressure: 0.00167mmHg at 25°C
• Melting Point: 146-148 °C
• Refractive Index: 1.67
• Boiling Point: 294 °C at 760 mmHg
• Flash Point: 131.6 °C
• PSA: 70.14000
• Density: 1.198 g/cm³
• LogP: 2.67780
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 180.07211956
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-Ethylphenyl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1NC(=S)N

Technology Process of (2-Ethylphenyl)thiourea

There total 5 articles about (2-Ethylphenyl)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: 90.0%

1-benzoyl-3-(2-ethylphenyl)-2-thiourea (88884-36-0) → 1-(2-ethylphenyl)thiourea (22265-77-6)

Guidance literature:

With sodium hydroxide; at 85 - 87 ℃; for 0.166667h;

DOI:10.1055/s-1988-27605

Reference yield: 44.0%

→ 1-(2-ethylphenyl)thiourea (22265-77-6)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 20h;

Reference yield: 41.0%

ortho-ethylaniline (578-54-1) + ammonium thiocyanate (1147550-11-5) → 1-(2-ethylphenyl)thiourea (22265-77-6)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.ejmech.2019.01.063

upstream raw materials:

1-benzoyl-3-(2-ethylphenyl)-2-thiourea

ortho-ethylaniline

Benzoyl isothiocyanate

ammonium thiocyanate

Downstream raw materials:

1-(2-Ethyl-phenyl)-2-methyl-isothiourea

N-(2-Ethyl-phenyl)-morpholine-4-carboxamidine; hydriodide

N-(2-ethylphenyl)-2',4'-dimethyl-4,5'-bi-1,3-thiazol-2-amine

Refernces

• 1、 -. "OPIOID RECEPTOR MODULATORS AND USE THEREOF". Paragraph 0048; 0253; 0254; 0255. . Retrieved 2017/03/21.
• 2、 Bhoga, Umadevi. "Novel synthetic approach to N-aryl-4-(3-pyridyl)thiazol-2-amine and analogues using HMCM-41 as catalyst, and their biological evaluation as human platelet aggregation inhibitors". . p. 1144 - 1150. Retrieved 2008/03/12.