1-(3,4-Dichlorophenyl)-2-thiourea

Base Information

• Chemical Name: 1-(3,4-Dichlorophenyl)-2-thiourea
• CAS No.: 19250-09-0
• Molecular Formula: C7H6Cl2N2S
• Molecular Weight: 221.11
• Hs Code.: 29309090
• European Community (EC) Number: 242-919-1
• DSSTox Substance ID: DTXSID90172846
• Nikkaji Number: J30.228G
• ChEMBL ID: CHEMBL1425001
• Mol file: 19250-09-0.mol

Synonyms:1-(3,4-dichlorophenyl)-2-thiourea;DCPTU

Chemical Property of 1-(3,4-Dichlorophenyl)-2-thiourea

Chemical Property:

• Appearance/Colour: grey crystalline powder
• Vapor Pressure: 0.000198mmHg at 25°C
• Melting Point: 197-199 °C(lit.)
• Refractive Index: 1.73
• Boiling Point: 327.7 °C at 760 mmHg
• Flash Point: 152 °C
• PSA: 70.14000
• Density: 1.563 g/cm³
• LogP: 3.42220
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 219.9628748
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

1-(3,4-Dichlorophenyl)thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 36/37/38-28-25
• Safety Statements: 45-36/37/39-28-26-22-1-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-(3,4-Dichlorophenyl)-2-thiourea

There total 9 articles about 1-(3,4-Dichlorophenyl)-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: 96.0%

ethyl 3-(3,4-dichlorophenyl)thioureidocarboxylate → 3,4-dichlorophenylthiourea (19250-09-0)

Guidance literature:

With ethylamine; In water; at 20 ℃; for 12h;

DOI:10.1021/acs.jmedchem.9b01244

Reference yield: 90.0%

N-benzoyl-N’-(3,4-dichlorophenyl)thiourea (19249-85-5) → 3,4-dichlorophenylthiourea (19250-09-0)

Guidance literature:

With sodium hydroxide; at 90 - 95 ℃; for 0.15h;

DOI:10.1055/s-1988-27605

Reference yield: 29.4%

ammonium thiocyanate (1147550-11-5) + m,p-dichloroaniline (95-76-1) → 3,4-dichlorophenylthiourea (19250-09-0)

Guidance literature:

ammonium thiocyanate; m,p-dichloroaniline; With hydrogenchloride; In water; for 1h; Heating;

Heating;

DOI:10.1007/s00044-016-1697-5

upstream raw materials:

N-benzoyl-N’-(3,4-dichlorophenyl)thiourea

potassium thioacyanate

3,4-dichloroaniline hydrochloride

3,4-dichlorophenyl isothiocyanate

Downstream raw materials:

5-benzyl-2-(3,4-dichloro-anilino)-thiazol-4-one

2-Amino-5,6-dichlorobenzothiazole

Refernces

• 1、 Woodring, Jennifer L.,Lu, Shao-Hung,Krasnova, Larissa,Wang, Shih-Chi,Chen, Jhih-Bin,Chou, Chiu-Chun,Huang, Yi-Chou,Cheng, Ting-Jen Rachel,Wu, Ying-Ta,Chen, Yu-Hou,Fang, Jim-Min,Tsai, Ming-Daw,Wong, Chi-Huey. "Disrupting the Conserved Salt Bridge in the Trimerization of Influenza A Nucleoprotein". . p. 205 - 215. Retrieved 2020/01/02.
• 2、 Brahmbhatt, Harshad,Bhatt, Anjani K.,Das, Arun K.,Paul, Parimal,Sharma, Sangita. "2-(3,4-Dichlorophenylimino)-5-((3-(p-substitutedphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)thiazolidin-4-one as an Antibacterial, Antifungal and Antimycobacterial Agent". . p. 2838 - 2843. Retrieved 2017/09/26.