1,1-Dibenzyl-thiourea

Base Information

• Chemical Name: 1,1-Dibenzyl-thiourea
• CAS No.: 40398-34-3
• Molecular Formula: C15H16N2S
• Molecular Weight: 256.371
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10393233
• Wikidata: Q82191916
• Mol file: 40398-34-3.mol

Synonyms:1,1-Dibenzyl-thiourea;1,1-dibenzylthiourea;40398-34-3;Dibenzylthioharnstoff;N,N-dibenzylisothiourea;SCHEMBL3201349;DTXSID10393233;Thiourea, N,N-bis(phenylmethyl)-;MFCD05149016;AKOS003357570;AS-33513;CS-0332405

Chemical Property of 1,1-Dibenzyl-thiourea

Chemical Property:

• Vapor Pressure: 2.54E-07mmHg at 25°C
• Boiling Point: 421.8°C at 760 mmHg
• Flash Point: 208.9°C
• PSA: 61.35000
• Density: 1.19g/cm³
• LogP: 3.63270
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 256.10341969
• Heavy Atom Count: 18
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

1,1-Dibenzylthiourea 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)N

Technology Process of 1,1-Dibenzyl-thiourea

There total 12 articles about 1,1-Dibenzyl-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: 86.0%

N,N-dibenzyl-benzotriazole-1-carboxamidine (496882-20-3) → N,N-dibenzylthiourea (40398-34-3)

Guidance literature:

With hydrogen sulfide; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1055/s-2004-829127

Reference yield: 67.0%

dibenzylamine (103-49-1) + 1H-1,2,3-benzotriazole-1-carbothioamide (770738-28-8) → N,N-dibenzylthiourea (40398-34-3)

Guidance literature:

In toluene; for 18h; Heating;

DOI:10.1055/s-2004-829127

Reference yield:

tert-butyl isothiocyanate (590-42-1) + dibenzylamine (103-49-1) → N,N-dibenzylthiourea (40398-34-3)

Guidance literature:

With hydrogenchloride; sodium hydrogencarbonate; In hexane;

upstream raw materials:

N,N-dibenzylcyanamide

N,N-Dibenzylthiocarbamoylchlorid

1,1-Dibenzyl-3-[1-phenyl-meth-(E)-ylidene]-thiourea

potassium thioacyanate

Downstream raw materials:

N,N-Dibenzyl-S-ethylthiuronium

2-dibenzylamino-5,6-dihydro-4H-benzothiazol-7-one

1,1-Dibenzyl-dithiobiuret

1,1-Dibenzyl-2-ethyl-5-phenyl-2-isothiobiuret