1-(3-Chlorophenyl)-3-phenylthiourea

Base Information

• Chemical Name: 1-(3-Chlorophenyl)-3-phenylthiourea
• CAS No.: 4251-08-5
• Molecular Formula: C13H11ClN2S
• Molecular Weight: 262.763
• European Community (EC) Number: 666-668-6
• DSSTox Substance ID: DTXSID00357465
• Nikkaji Number: J1.426.613E
• Mol file: 4251-08-5.mol

Synonyms:1-(3-chlorophenyl)-3-phenylthiourea;4251-08-5;N-(3-Chlorophenyl)-N'-phenylthiourea;SCHEMBL5454961;DTXSID00357465;YRBVLVKDMVTDDO-UHFFFAOYSA-N;STK070270;3-(3-chlorophenyl)-1-phenylthiourea;AKOS000492932;1-(m-Chlorophenyl)-3-phenyl-2-thiourea;AS-62409;N-(3-Chlorophenyl)-N'-phenylthiourea #;W18448

Chemical Property of 1-(3-Chlorophenyl)-3-phenylthiourea

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 262.0331472
• Heavy Atom Count: 17
• Complexity: 254

Purity/Quality:

95% ^*data from raw suppliers

1-(3-Chlorophenyl)-3-phenylthiourea 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)Cl

Technology Process of 1-(3-Chlorophenyl)-3-phenylthiourea

There total 6 articles about 1-(3-Chlorophenyl)-3-phenylthiourea 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: 96.0%

phenyl isothiocyanate (103-72-0) + 3-chloro-aniline (108-42-9) → 1-phenyl-3-m-chlorophenyl thiocarbamide (4251-08-5)

Guidance literature:

for 0.00833333h; Microwave irradiation; Neat (no solvent);

Reference yield:

tert-butyl phenylcarbamodithioate (92147-65-4) + 3-chloro-aniline (108-42-9) → 1-phenyl-3-m-chlorophenyl thiocarbamide (4251-08-5)

Guidance literature:

In neat (no solvent); at 60 ℃; for 1h;

DOI:10.1016/j.tetlet.2016.11.082

Reference yield:

Formanilid (103-70-8) → 1-phenyl-3-m-chlorophenyl thiocarbamide (4251-08-5)

Guidance literature:

Multi-step reaction with 3 steps

1: trichlorophosphate

2: neat (no solvent) / 5 h / 120 °C / Inert atmosphere

3: neat (no solvent) / 1 h / 60 °C

With trichlorophosphate; In neat (no solvent);

DOI:10.1016/j.tetlet.2016.11.082

upstream raw materials:

phenyl isothiocyanate

3-chloro-aniline

aniline

3-chlorophenyl-isothiocyanate

Downstream raw materials:

N,N-diphenylthiourea

N-(3-chlorophenyl)-N'-phenyl-urea

3-(3-chloro-phenyl)-2-phenylimino-thiazolidin-4-one

Refernces

• 1、 Uberhande,Thakare,Berad. "Microwave induced improved synthesis of monoaryl thiocarbamides, 1,3-diarylthiocarbamides, 1,3-diarylcarbamides and monoaryl-2,4-dithiobiurets". experimental part. p. 1137 - 1141. Retrieved 2011/05/05.