1-(4-Chlorophenyl)-3-methylthiourea

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-methylthiourea
• CAS No.: 2740-97-8
• Molecular Formula: C8H9ClN2S
• Molecular Weight: 200.692
• DSSTox Substance ID: DTXSID60351348
• Nikkaji Number: J1.392.438D
• Wikidata: Q82127695
• Mol file: 2740-97-8.mol

Synonyms:1-(4-chlorophenyl)-3-methylthiourea;2740-97-8;N-(4-chlorophenyl)-N'-methylthiourea;HMS1538L16;TimTec1_001666;[(4-chlorophenyl)amino](methylamino)methane-1-thione;SCHEMBL11277333;DTXSID60351348;UKOJOHPYEVWPNN-UHFFFAOYSA-N;STK135311;AKOS000431076;NCGC00174186-01;AE-641/30147009;SR-01000246671;SR-01000246671-1

Chemical Property of 1-(4-Chlorophenyl)-3-methylthiourea

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 200.0174972
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)NC1=CC=C(C=C1)Cl

Technology Process of 1-(4-Chlorophenyl)-3-methylthiourea

There total 2 articles about 1-(4-Chlorophenyl)-3-methylthiourea 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: 100.0%

4-chloro-aniline (106-47-8) + methyl thioisocyanate (556-61-6) → 1-(4-chloro-phenyl)-3-methyl-thiourea (2740-97-8)

Guidance literature:

at 20 ℃; for 24h;

DOI:10.1016/S0040-4020(00)00511-1

Reference yield:

4-Chlorophenyl isothiocyanate (2131-55-7) + methylamine (74-89-5) → 1-(4-chloro-phenyl)-3-methyl-thiourea (2740-97-8)

Guidance literature:

With ethanol;

Reference yield: 100.0%

1-(4-chloro-phenyl)-3-methyl-thiourea (2740-97-8) + α-bromoacetophenone (70-11-1) → 2-(4-chlorophenylamino)-3-methyl-4-phenyl-thiazolium bromide

Guidance literature:

at 20 ℃; for 0.5h;

upstream raw materials:

4-Chlorophenyl isothiocyanate

methylamine

4-chloro-aniline

methyl thioisocyanate

Downstream raw materials:

6-chloro-N-methylbenzo[d]thiazol-2-amine

(4-chloro-phenyl)-(3,4-dimethyl-3H-thiazol-2-ylidene)-amine

N,N'-bis-(4-chloro-phenyl)-2,4-dimethyl-[1,2,4]thiadiazolidine-3,5-diylidenediamine

(5Z)-5-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-2-(4-chlorophenylimino)-3-methylthiazolidin-4-one