1-(2,6-Dimethylphenyl)thiourea

Base Information

• Chemical Name: 1-(2,6-Dimethylphenyl)thiourea
• CAS No.: 6396-76-5
• Molecular Formula: C9H12N2S
• Molecular Weight: 180.274
• Hs Code.: 2930909090
• European Community (EC) Number: 229-005-8
• NSC Number: 202179
• UNII: 7AQC8E3DN8
• DSSTox Substance ID: DTXSID30213803
• Nikkaji Number: J207.003K
• Mol file: 6396-76-5.mol

Synonyms:6396-76-5;1-(2,6-dimethylphenyl)thiourea;(2,6-dimethylphenyl)thiourea;1-(2,6-Dimethylphenyl)-2-thiourea;2,6-dimethylphenylthiourea;N-(2,6-dimethylphenyl)thiourea;1-(2,6-Xylyl)thiourea;Thiourea, (2,6-dimethylphenyl)-;EINECS 229-005-8;NSC 202179;NSC-202179;NSC202179;7AQC8E3DN8;1-(2,6-xylyl)-2-thiourea;SCHEMBL5222474;SCHEMBL15880161;(2,6-dimethyl-phenyl)-thiourea;DTXSID30213803;Urea, 2-thio-1-(2,6-xylyl);1-(2',6'-dimethylphenyl)-thiourea;MFCD00041165;Thiourea, N-(2,6-dimethylphenyl)-;AKOS001060312;AMY202100112;MS-11549;CS-0153426;D4958;FT-0605499;EN300-07856;D90355;A834594;Z56960307

Chemical Property of 1-(2,6-Dimethylphenyl)thiourea

Chemical Property:

• Vapor Pressure: 0.00298mmHg at 25°C
• Melting Point: 195 °C
• Refractive Index: 1.674
• Boiling Point: 284.4 °C at 760 mmHg
• PKA: 13.15±0.70(Predicted)
• Flash Point: 125.8 °C
• PSA: 70.14000
• Density: 1.2 g/cm³
• LogP: 2.73220
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 180.07211956
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99.9% ^*data from raw suppliers

2,6-Dimethylphenylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R25:Toxic if swallowed.
• Hazard Codes: R25:Toxic if swallowed.
• Statements: 25
• Safety Statements: 22-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-(2,6-Dimethylphenyl)thiourea

There total 11 articles about 1-(2,6-Dimethylphenyl)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: 77.0%

2,6-dimethylphenyl isonitrile (119072-54-7,2769-71-3) → 1-(2,6-dimethylphenyl)thiourea (6396-76-5)

Guidance literature:

With ammonium hydroxide; N,N,N',N'',N'''-pentamethyldiethylenetriamine; sulfur; at 80 ℃; for 1h;

DOI:10.1002/open.202000250

Reference yield: 76.0%

[3-Benzoyl-1-(2,6-dimethyl-phenyl)-thioureido]-acetic acid tert-butyl ester (87544-32-9) → 1-(2,6-dimethylphenyl)thiourea (6396-76-5) + 3-(2,6-Dimethyl-phenyl)-5-phenyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylic acid tert-butyl ester (87544-49-8)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 2h; Heating;

Reference yield: 75.0%

N-((2,6-dimethylphenyl)carbamothioyl)benzamide (25343-24-2) → 1-(2,6-dimethylphenyl)thiourea (6396-76-5)

Guidance literature:

With sodium hydroxide; In water; at 80 ℃; for 0.25h;

DOI:10.1021/ml400486k

upstream raw materials:

silicon tetraisothiocyanate

2,6-dimethylaniline

ammonium thiocyanate

2,6-dimethylphenylisothiocyanate

Downstream raw materials:

N,N''-bis-(2,6-dimethyl-phenyl)-μ-disulfido-dicarboxamidine

N,N'-Di(2,6-dimethylphenyl)guanidine

N-(2.6-Dimethylphenyl)-N'-(trimethylsilyl)thioharnstoff

(2,6-dimethyl-phenyl)-thiazol-2-yl-amine