1,1-Dimethyl-3-(4-methylphenyl)thiourea

Base Information

• Chemical Name: 1,1-Dimethyl-3-(4-methylphenyl)thiourea
• CAS No.: 2741-13-1
• Molecular Formula: C10H14 N2 S
• Molecular Weight: 194.301
• European Community (EC) Number: 652-166-4
• NSC Number: 202126
• DSSTox Substance ID: DTXSID00351746
• Nikkaji Number: J1.392.243H
• Mol file: 2741-13-1.mol

Synonyms:2741-13-1;1,1-Dimethyl-3-(p-tolyl)thiourea;1,1-dimethyl-3-(4-methylphenyl)thiourea;3,3-dimethyl-1-(4-methylphenyl)thiourea;NSC202126;1,1-dimethyl-3-(para-tolyl)-2-thiourea;SCHEMBL5450380;DTXSID00351746;NVFPKSLOJQQWMO-UHFFFAOYSA-N;1,1-Dimethyl-3-p-tolyl-thiourea;STL482872;AKOS001030269;AKOS002743887;NSC-202126;UPCMLD0ENAT0500-3096:001;CS-0333388;N,N-Dimethyl-N'-(4-methylphenyl)thiourea #;Z45810673;F0862-0561

Chemical Property of 1,1-Dimethyl-3-(4-methylphenyl)thiourea

Chemical Property:

• Vapor Pressure: 0.00644mmHg at 25°C
• Boiling Point: 271.5°Cat760mmHg
• Flash Point: 118°C
• Density: 1.14g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 194.08776963
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1-Dimethyl-3-(4-methylphenyl)thiourea

There total 6 articles about 1,1-Dimethyl-3-(4-methylphenyl)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: 92.0%

phenyl N,N-dimethyl dithiocarbamate (16906-70-0) + p-toluidine (106-49-0,12221-03-3) → 3,3-dimethyl-1-(4-methylphenyl)thiourea (2741-13-1)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 90 ℃; for 3.5h;

DOI:10.3184/174751917X14931424175476

Reference yield: 73.0%

p-toluidine (106-49-0,12221-03-3) + 5-Dimethylamino-3-phenyl-[1,4,2]dithiazol-1-ylium; perchlorate → 3,3-dimethyl-1-(4-methylphenyl)thiourea (2741-13-1) + 5-(p-tolyl)imino-3-phenyl-1,4,2-dithiazole

Guidance literature:

With picoline; In dichloromethane; for 6h; Ambient temperature;

DOI:10.1246/bcsj.61.4043

Reference yield: 64.0%

p-toluidine (106-49-0,12221-03-3) + 5-Dimethylamino-3-phenyl-[1,4,2]dithiazol-1-ylium; perchlorate → 3,3-dimethyl-1-(4-methylphenyl)thiourea (2741-13-1)

Guidance literature:

With triethylamine; In acetonitrile; for 6h; Ambient temperature;

DOI:10.1246/bcsj.61.4043

upstream raw materials:

dimethyl amine

1-isothiocyanato-4-methylbenzene

Thiram

p-toluidine

Downstream raw materials:

N,N,6-trimethylbenzo[d]thiazol-2-amine

N,N,S-Trimethyl-N'-p-tolyl-isothioharnstoff

1-isothiocyanato-4-methylbenzene

1,1-dimethyl-2-phenyl-3-p-tolyl-isothiourea