1-(4-Bromophenyl)-3-phenylthiourea

Base Information

• Chemical Name: 1-(4-Bromophenyl)-3-phenylthiourea
• CAS No.: 32062-69-4
• Molecular Formula: C13H11 Br N2 S
• Molecular Weight: 307.214
• NSC Number: 191409
• DSSTox Substance ID: DTXSID50350507
• Nikkaji Number: J2.096.145G
• ChEMBL ID: CHEMBL1304942
• Mol file: 32062-69-4.mol

Synonyms:1-(4-bromophenyl)-3-phenylthiourea;CHEMBL1304942;N-(4-bromophenyl)-N'-phenylthiourea;NSC191409;MLS000710815;SCHEMBL5137359;DTXSID50350507;HMS2774F09;3-(4-bromophenyl)-1-phenylthiourea;BDBM50448195;STK030826;AKOS000489203;NSC-191409;SMR000280582;UPCMLD0ENAT0512-4884:001;EN300-12812476;Z45796534

Chemical Property of 1-(4-Bromophenyl)-3-phenylthiourea

Chemical Property:

• Vapor Pressure: 2.58E-06mmHg at 25°C
• Boiling Point: 390.8°Cat760mmHg
• Flash Point: 190.1°C
• Density: 1.584g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 305.98263
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Bromophenyl)-3-phenylthiourea

There total 5 articles about 1-(4-Bromophenyl)-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: 94.0%

o-phenyl (4-bromophenyl)carbamothioate (29647-72-1) + aniline (62-53-3) → N-(p-bromophenyl)-N'-phenylthiourea (32062-69-4)

Guidance literature:

In water; at 100 ℃; for 0.583333h; Green chemistry;

DOI:10.3184/174751916X14760947474916

Reference yield: 92.0%

phenyl isothiocyanate (103-72-0) + 4-bromo-aniline (106-40-1) → N-(p-bromophenyl)-N'-phenylthiourea (32062-69-4)

Guidance literature:

at 80 ℃; Acidic conditions;

DOI:10.1007/s11696-021-01785-7

Reference yield:

aniline (62-53-3) + 4-Bromophenyl isothiocyanate (1985-12-2) → N-(p-bromophenyl)-N'-phenylthiourea (32062-69-4)

Guidance literature:

upstream raw materials:

phenyl isothiocyanate

4-bromo-aniline

aniline

4-Bromophenyl isothiocyanate

Downstream raw materials:

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

1-(4-bromophenyl)-3-phenyl-urea

[3-(4-bromo-phenyl)-thiazolidin-2-ylidene]-phenyl-amine

N-(4-bromo-phenyl)-S-methyl-N'-phenyl-isothiourea

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