N-(2,4,6-Tribromophenyl)thiourea

Base Information

• Chemical Name: N-(2,4,6-Tribromophenyl)thiourea
• CAS No.: 5337-47-3
• Molecular Formula: C7H5 Br3 N2 S
• Molecular Weight: 388.9
• Hs Code.: 2930909090
• European Community (EC) Number: 662-025-9
• NSC Number: 792
• DSSTox Substance ID: DTXSID70393815
• Nikkaji Number: J2.036.462I
• Mol file: 5337-47-3.mol

Synonyms:N-(2,4,6-Tribromophenyl)thiourea;(2,4,6-tribromophenyl)thiourea;5337-47-3;NSC792;1-(2,4,6-Tribromophenyl)thiourea;2,4,6-Tribromophenylthiourea;SCHEMBL5450263;DTXSID70393815;NSC-792;AKOS009157923;2-THIO-1-(2,6-TRIBROMOPHENYL)UREA;FT-0609844

Chemical Property of N-(2,4,6-Tribromophenyl)thiourea

Chemical Property:

• Vapor Pressure: 3.36E-06mmHg at 25°C
• Boiling Point: 387.2°Cat760mmHg
• Flash Point: 188°C
• PSA: 70.14000
• Density: 2.341g/cm³
• LogP: 4.40290
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 387.77031
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

98%min ^*data from raw suppliers

2,4,6-TRIBROMOPHENYLTHIOUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: R22:Harmful if swallowed.
• Safety Statements: S22:Do not inhale dust.; S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)NC(=S)N)Br)Br

Technology Process of N-(2,4,6-Tribromophenyl)thiourea

There total 2 articles about N-(2,4,6-Tribromophenyl)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:

N-benzoyl-N'-(2,4,6-tribromo-phenyl)-thiourea (4949-95-5) → 1-(2,4,6-tribromophenyl)thiourea (5337-47-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01321a061

Reference yield:

2,4,6-tribromoaniline (147-82-0) → 1-(2,4,6-tribromophenyl)thiourea (5337-47-3)

Guidance literature:

Multi-step reaction with 2 steps

2: aqueous NaOH-solution

With sodium hydroxide;

DOI:10.1021/ja01321a061

Reference yield: 64.0%

2-bromo-1-(3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)ethan-1-one (1056050-24-8) + 1-(2,4,6-tribromophenyl)thiourea (5337-47-3) → 4-(3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-N-(2,4,6-tribromophenyl)thiazol-2-amine

Guidance literature:

In ethanol; for 4h; Reflux;

DOI:10.1016/j.bmcl.2021.128446

upstream raw materials:

N-benzoyl-N'-(2,4,6-tribromo-phenyl)-thiourea

2,4,6-tribromoaniline

Downstream raw materials:

[4-(2-fluoro-5-methyl-phenyl)-thiazol-2-yl]-(2,4,6-tribromo-phenyl)-amine

4-fluoro-2-[2-(2,4,6-tribromo-anilino)-thiazol-4-yl]-phenol

2-(2,4,6-tribromo-phenylamino)-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester