4,4'-DIMETHYLTHIOCARBANILIDE

Base Information

• Chemical Name: 4,4'-DIMETHYLTHIOCARBANILIDE
• CAS No.: 621-01-2
• Molecular Formula: C15H16 N2 S
• Molecular Weight: 256.371
• Hs Code.: 2930909090
• European Community (EC) Number: 210-665-0
• NSC Number: 687
• UNII: GPP4Q8300Z
• DSSTox Substance ID: DTXSID30211142
• Nikkaji Number: J55.524J
• Mol file: 621-01-2.mol

Synonyms:Carbanilide,4,4'-dimethylthio- (6CI,7CI,8CI); 1,3-Bis(4-methylphenyl)thiourea;1,3-Bis(p-tolyl)thiourea; 1,3-Di-p-tolyl-2-thiourea;1,3-Di-p-tolylthiocarbamide; 1,3-Di-p-tolylthiourea;N,N'-Bis(4-methylphenyl)thiourea; N,N'-Bis(p-tolyl)thiourea;N,N'-Di-p-tolylthiourea; NSC 687; sym-Di-p-tolylthiourea

Chemical Property of 4,4'-DIMETHYLTHIOCARBANILIDE

Chemical Property:

• Vapor Pressure: 6.63E-06mmHg at 25°C
• Melting Point: 182-184 °C(lit.)
• Boiling Point: 377.7°C at 760 mmHg
• PKA: 12.34±0.70(Predicted)
• Flash Point: 182.2°C
• PSA: 56.15000
• Density: 1.219g/cm³
• LogP: 4.25830
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 256.10341969
• Heavy Atom Count: 18
• Complexity: 238

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Di(p-tolyl)thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C
• Uses: 1,3-Di-p-tolyl-2-thiourea may be used in chemical synthesis studies.

Technology Process of 4,4'-DIMETHYLTHIOCARBANILIDE

There total 47 articles about 4,4'-DIMETHYLTHIOCARBANILIDE 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: 98.0%

carbon disulfide (75-15-0,12122-00-8) + p-toluidine (106-49-0,12221-03-3) → N,N'-Bis(p-tolyl)thiourea (621-01-2)

Guidance literature:

at 100 ℃; for 12h; Ionic liquid; Green chemistry;

DOI:10.1080/17415993.2012.739623

Reference yield: 98.0%

p-toluidine (106-49-0,12221-03-3) + bis(1H-benzo[d][1,2,3]triazol-1-yl)methanethione (4314-19-6) → N,N'-Bis(p-tolyl)thiourea (621-01-2)

Guidance literature:

With sodium carbonate; In acetonitrile; for 0.166667h; Milling;

DOI:10.1002/anie.201502026

Reference yield: 96.0%

p-toluidine (106-49-0,12221-03-3) + thiourea (17356-08-0) → N,N'-Bis(p-tolyl)thiourea (621-01-2)

Guidance literature:

With PEG-400; In water; for 0.0333333h; microwave irradiation;

DOI:10.1080/104265090968082

upstream raw materials:

p-toluidine

1-isothiocyanato-4-methylbenzene

carbon disulfide

thiophosgene

Downstream raw materials:

4-Methylacetanilide

1-isothiocyanato-4-methylbenzene

N-(p-tolyl)-2-phenylhydrazinecarbothioamide

N-phenyl-N',N''-di-p-tolyl-guanidine