(2,5-Dimethyl-phenyl)-thiourea

Base Information

• Chemical Name: (2,5-Dimethyl-phenyl)-thiourea
• CAS No.: 16738-19-5
• Molecular Formula: C9H12N2S
• Molecular Weight: 180.274
• European Community (EC) Number: 673-855-6
• DSSTox Substance ID: DTXSID10168281
• Nikkaji Number: J48.972G
• Mol file: 16738-19-5.mol

Synonyms:16738-19-5;(2,5-dimethylphenyl)thiourea;(2,5-Dimethyl-phenyl)-thiourea;1-(2,5-dimethylphenyl)thiourea;(2,5-Xylyl) thiourea;N-(2,5-dimethylphenyl)thiourea;Urea, 2-thio-1-(2,5-xylyl)-;BRN 2092332;2-Thio-1-(2,5-xylyl)urea;(2,5-xylyl)thiourea;2-12-00-00616 (Beilstein Handbook Reference);Thiourea,N-(2,5-dimethylphenyl)-;SCHEMBL5528760;SCHEMBL10783750;DTXSID10168281;N-(2,5-Dimethylphenyl)-thiourea;Thiourea, (2,5-dimethylphenyl)-;1-(2,5-dimethylphenyl)-2-thiourea;BBL023093;MFCD00041372;STK106028;AKOS000369726;VS-07324;LS-160753;CS-0116704;FT-0690602;EN300-06326;A810858;AM-944/40947447;J-522838;Z56923302

Chemical Property of (2,5-Dimethyl-phenyl)-thiourea

Chemical Property:

• Vapor Pressure: 0.00237mmHg at 25°C
• Refractive Index: 1.674
• Boiling Point: 288.2 °C at 760 mmHg
• Flash Point: 128.1 °C
• PSA: 70.14000
• Density: 1.2 g/cm³
• LogP: 2.73220
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 180.07211956
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)NC(=S)N

Technology Process of (2,5-Dimethyl-phenyl)-thiourea

There total 7 articles about (2,5-Dimethyl-phenyl)-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: 95.0%

1-Benzoyl-3-(2,5-dimethyl-phenyl)-thiourea (83697-78-3) → 1-(2,5-dimethylphenyl)thiourea (16738-19-5)

Guidance literature:

With sodium hydroxide; at 80 - 85 ℃; for 0.133333h;

DOI:10.1055/s-1988-27605

Reference yield: 42.0%

→ 1-(2,5-dimethylphenyl)thiourea (16738-19-5)

Guidance literature:

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

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 2,5-Dimethylaniline (95-78-3) → 1-(2,5-dimethylphenyl)thiourea (16738-19-5)

Guidance literature:

With ammonium hydroxide;

DOI:10.1016/j.bmcl.2019.126726

upstream raw materials:

2,5-dimethylphenyl isothiocyanate

1-Benzoyl-3-(2,5-dimethyl-phenyl)-thiourea

2,5-Dimethylaniline

Benzoyl isothiocyanate

Downstream raw materials:

4,7-dimethylbenzo[d]thiazol-2-amine

1-(2,5-Dimethyl-phenyl)-2-methyl-isothiourea; hydriodide

1-(2,5-dimethylphenyl)-2-methyl-isothiourea monohydroiodide

N-(2,5-Dimethyl-phenyl)-pyrrolidine-1-carboxamidine; hydriodide