4-Bromophenylthiourea

Base Information

• Chemical Name: 4-Bromophenylthiourea
• CAS No.: 2646-30-2
• Molecular Formula: C7H7BrN2S
• Molecular Weight: 231.116
• Hs Code.: 29309090
• European Community (EC) Number: 671-712-2
• NSC Number: 72167,3404
• UNII: M3NQV0N54T
• DSSTox Substance ID: DTXSID50181055
• Nikkaji Number: J49.092J
• Wikidata: Q27116037
• Metabolomics Workbench ID: 54975
• Mol file: 2646-30-2.mol

Synonyms:4-Bromophenylthiourea;2646-30-2;1-(4-bromophenyl)thiourea;1-(4-Bromophenyl)-2-thiourea;(4-bromophenyl)thiourea;N-p-Bromophenylthiourea;p-Bromophenylthiourea;N-(4-Bromophenyl)thiourea;Thiourea, (4-bromophenyl)-;4-Bromophenyl thiourea;Urea, 1-(p-bromophenyl)-2-thio-;(p-bromophenyl)thiourea;Thiourea, N-(4-bromophenyl)-;NSC 3404;NSC 72167;UNII-M3NQV0N54T;BRN 2361884;M3NQV0N54T;1-(p-bromophenyl)-2-thiourea;NSC-3404;NSC-72167;WLN: ER DMYZUS;4-12-00-01516 (Beilstein Handbook Reference);1-[p-Bromophenyl]-2-thiourea;p-bromophenyl-thiourea;4-bromo-phenyl-thiourea;p-bromophenylthiopseudourea;(4-Bromophenyl)-thiourea;NCIOpen2_003589;N-(4-Bromophenyl)thiourea #;SCHEMBL652231;C7-H7-Br-N2-S;CHEBI:34391;DTXSID50181055;NSC3404;NSC72167;MFCD00041176;STL374098;AKOS000113513;MS-11548;LS-159211;B4484;CS-0116714;FT-0605658;EN300-87358;F14899;A818459;Q27116037;F3143-0091

Chemical Property of 4-Bromophenylthiourea

Chemical Property:

• Vapor Pressure: 0.000395mmHg at 25°C
• Melting Point: 183-184 °C
• Refractive Index: 1.748
• Boiling Point: 317 °C at 760 mmHg
• PKA: 12.81±0.70(Predicted)
• Flash Point: 145.5 °C
• PSA: 70.14000
• Density: 1.728 g/cm³
• LogP: 2.87790
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 229.95133
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Bromophenyl)thiourea ^*data from reagent suppliers

Safty Information:

• Statements: 25
• Safety Statements: 22-36/37-45-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=S)N)Br

Technology Process of 4-Bromophenylthiourea

There total 15 articles about 4-Bromophenylthiourea 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%

potassium thioacyanate (333-20-0) + 4-bromoaniline hydrochloride (624-19-1) → 1-(4-bromophenyl)thiourea (2646-30-2)

Guidance literature:

In tetrahydrofuran; Heating;

DOI:10.1055/s-2000-7607

Reference yield: 87.5%

1-benzoyl-3-(4-bromophenyl)thiourea (19249-89-9) → 1-(4-bromophenyl)thiourea (2646-30-2)

Guidance literature:

With sodium hydroxide; In water; at 85 ℃; for 0.2h;

Reference yield: 76.5%

ammonium thiocyanate (1147550-11-5) + 4-bromo-aniline (106-40-1) → 1-(4-bromophenyl)thiourea (2646-30-2)

Guidance literature:

With hydrogenchloride; In water; for 0.5h;

upstream raw materials:

ammonium thiocyanate

4-bromo-aniline

4-Bromophenyl isothiocyanate

1-benzoyl-3-(4-bromophenyl)thiourea

Downstream raw materials:

5-(4-bromo-anilino)-3H-thiazolo[4,5-d]thiazol-2-one

2-(4-bromo-anilino)-5-butyl-thiazol-4-one

4-amino-3-(4-bromo-phenyl)-2-imino-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester

[2-(4-bromo-anilino)-4-methyl-thiazol-5-yl]-acetic acid ethyl ester

Refernces

• 1、 Takemoto, Yasushi,Kadota, Shin,Minami, Itsunari,Otsuka, Shinya,Okuda, Satoshi,Abo, Masahiro,Punzalan, Louvy Lynn,Shen, Yan,Shiba, Yuji,Uesugi, Motonari. "Chemical Genetics Reveals a Role of Squalene Synthase in TGFβ Signaling and Cardiomyogenesis". supporting information. p. 21824 - 21831. Retrieved 2021/08/30.
• 2、 Nasrollahzadeh, Mahmoud,Maryami, Mahboobe,Sajjadi, Mohaddeseh,Mehdipour, Ebrahim. "Synthesis, characterization and catalytic performance of Pd(II) complex immobilized on Fe3O4@SiO2 nanoparticles for the ligand-free cyanation of aryl halides using K4Fe(CN)6". . . Retrieved 2019/03/11.