1-(5-Chloro-2-methylphenyl)-2-thiourea

Base Information

• Chemical Name: 1-(5-Chloro-2-methylphenyl)-2-thiourea
• CAS No.: 72806-61-2
• Molecular Formula: C8H9 Cl N2 S
• Molecular Weight: 200.692
• Hs Code.: 2930909090
• European Community (EC) Number: 674-028-2
• DSSTox Substance ID: DTXSID20374013
• Wikidata: Q82162454
• Mol file: 72806-61-2.mol

Synonyms:72806-61-2;1-(5-Chloro-2-methylphenyl)-2-thiourea;(5-chloro-2-methylphenyl)thiourea;1-(5-chloro-2-methylphenyl)thiourea;n-(5-chloro-2-methylphenyl)thiourea;Thiourea,N-(5-chloro-2-methylphenyl)-;SCHEMBL2243625;DTXSID20374013;VCAAMKSMNMYWFY-UHFFFAOYSA-N;XCA80661;BBL036238;MFCD00060444;STK109292;AKOS000369705;N-(2-methyl-5-chlorophenyl)-thiourea;1-(5-chloranyl-2-methyl-phenyl)thiourea;VS-13379;CS-0116701;FT-0682072;EN300-1262800;A837630

Chemical Property of 1-(5-Chloro-2-methylphenyl)-2-thiourea

Chemical Property:

• Vapor Pressure: 0.0008mmHg at 25°C
• Melting Point: 160 °C
• Boiling Point: 305.9°C at 760 mmHg
• Flash Point: 138.8°C
• PSA: 70.14000
• Density: 1.376g/cm³
• LogP: 3.07720
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 200.0174972
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

1-(5-Chloro-2-methylphenyl)-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)Cl)NC(=S)N

Technology Process of 1-(5-Chloro-2-methylphenyl)-2-thiourea

There total 6 articles about 1-(5-Chloro-2-methylphenyl)-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: 93.0%

1-(5-Chloro-2-methylphenyl)-3-benzoyl-2-thiourea (82635-63-0) → 1-(5-Chloro-2-methylphenyl)-2-thiourea (72806-61-2)

Guidance literature:

With sodium hydroxide; at 80 - 87 ℃; for 0.133333h;

DOI:10.1055/s-1988-27605

Reference yield: 43.0%

→ 1-(5-Chloro-2-methylphenyl)-2-thiourea (72806-61-2)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 20h;

Reference yield:

sodium thiocyanide (540-72-7) + 5-chloro-2-methyl-benzenamine (95-79-4) → 1-(5-Chloro-2-methylphenyl)-2-thiourea (72806-61-2)

Guidance literature:

With sulfuric acid; In water; chlorobenzene; at 50 - 110 ℃;

upstream raw materials:

5-chloro-2-methylphenylisothiocyanate

1-(5-Chloro-2-methylphenyl)-3-benzoyl-2-thiourea

sodium thiocyanide

5-chloro-2-methyl-benzenamine

Downstream raw materials:

4-methyl-7-chloro-2-aminobenzothiazole

N-(2-chloro-5-methylphenyl)-S-methylisothiourea

1-(5-Chloro-2-methyl-phenyl)-2-methyl-isothiourea; hydriodide

1-(5-chloro-2-methyl-phenyl)-2-ethyl-isothiourea