1-(4-Chlorobenzyl)-2-thiourea

Base Information

• Chemical Name: 1-(4-Chlorobenzyl)-2-thiourea
• CAS No.: 24827-37-0
• Molecular Formula: C8H9ClN2S
• Molecular Weight: 200.692
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80394631
• Nikkaji Number: J1.126.245G
• Wikidata: Q82194137
• Mol file: 24827-37-0.mol

Synonyms:1-(4-Chlorobenzyl)-2-thiourea;24827-37-0;1-(4-Chlorobenzyl)thiourea;(4-chlorophenyl)methylthiourea;[(4-chlorophenyl)methyl]thiourea;Thiourea, N-[(4-chlorophenyl)methyl]-;SCHEMBL5064965;DTXSID80394631;CRHPDONOCLCOOR-UHFFFAOYSA-N;ZAA82737;MFCD00060466;AKOS009280791;CS-0237223;FT-0682155;EN300-180261;A911883

Chemical Property of 1-(4-Chlorobenzyl)-2-thiourea

Chemical Property:

• Vapor Pressure: 0.000139mmHg at 25°C
• Melting Point: 142-144°C
• Boiling Point: 333.1°C at 760 mmHg
• Flash Point: 155.3°C
• PSA: 70.14000
• Density: 1.323g/cm³
• LogP: 2.76440
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 200.0174972
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorobenzyl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CNC(=S)N)Cl

Technology Process of 1-(4-Chlorobenzyl)-2-thiourea

There total 6 articles about 1-(4-Chlorobenzyl)-2-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: 95.0%

→ N-(4-chlorobenzyl)thiourea (24827-37-0)

Guidance literature:

With potassium carbonate; In ethanol; for 4h; Reflux;

Reference yield: 73.0%

N-((4-chlorobenzyl)carbamothioyl)benzamide (145383-00-2) → N-(4-chlorobenzyl)thiourea (24827-37-0)

Guidance literature:

With potassium carbonate; In ethanol; for 2h; Heating;

DOI:10.1016/0223-5234(92)90185-4

Reference yield: 12.0%

potassium thioacyanate (333-20-0) + 4-chlorobenzylamine (104-86-9) → N-(4-chlorobenzyl)thiourea (24827-37-0)

Guidance literature:

4-chlorobenzylamine; With hydrogenchloride; In water; Cooling with ice;

potassium thioacyanate; In tetrahydrofuran; water; at 80 ℃; for 24h;

DOI:10.1016/j.bmcl.2017.09.044

upstream raw materials:

4-chlorobenzylisothiocyanate

N-((4-chlorobenzyl)carbamothioyl)benzamide

ammonium thiocyanate

4-chloro-aniline

Downstream raw materials:

(4-chloro-benzyl)-thiazol-2-yl-amine

2-(4-chloro-benzylamino)-5-ethyl-thiazol-4-one

2-(4-chloro-benzylamino)-5-propyl-thiazol-4-one

5-butyl-2-(4-chloro-benzylamino)-thiazol-4-one