N'-(4-Chlorophenyl)-N,N-dimethylthiourea

Base Information

• Chemical Name: N'-(4-Chlorophenyl)-N,N-dimethylthiourea
• CAS No.: 2212-17-1
• Molecular Formula: C9H11 Cl N2 S
• Molecular Weight: 214.719
• European Community (EC) Number: 653-781-0
• NSC Number: 63176
• UNII: F2KQ6E6NHL
• DSSTox Substance ID: DTXSID40176637
• Nikkaji Number: J1.391.476A
• ChEMBL ID: CHEMBL1714728
• Mol file: 2212-17-1.mol

Synonyms:2212-17-1;N'-(4-Chlorophenyl)-N,N-dimethylthiourea;3-(4-chlorophenyl)-1,1-dimethylthiourea;1-(4-chlorophenyl)-3,3-dimethylthiourea;NSC63176;3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea;Thiourea, N'-(4-chlorophenyl)-N,N-dimethyl-;NSC 63176;NSC-63176;Maybridge1_006951;F2KQ6E6NHL;NCIOpen2_002670;MLS000861631;SCHEMBL5454000;CHEMBL1714728;HMS561D21;DTXSID40176637;FWGDAHLBEXSAPT-UHFFFAOYSA-N;HMS2777H08;STL362916;AKOS002743976;AKOS008944389;CCG-237095;NCGC00246692-01;SMR000460415;1,1-Dimethyl-3-(4-chlorophenyl)thiourea;1-p-Chlorophenyl-3,3-dimethyl-2-thiourea;3-(4-chlorophenyl)-1,1-dimethyl-thiourea;N-(p-Chlorophenyl)-N',N'-dimethylthiourea;N'-(4-Chlorophenyl)-N,N-dimethylthiourea #;Urea, 3-(p-chlorophenyl)-1,1-dimethyl-2-thio-;F1285-0102

Chemical Property of N'-(4-Chlorophenyl)-N,N-dimethylthiourea

Chemical Property:

• Vapor Pressure: 0.00319mmHg at 25°C
• Boiling Point: 283.3°Cat760mmHg
• Flash Point: 125.1°C
• Density: 1.292g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 214.0331472
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N'-(4-Chlorophenyl)-N,N-dimethylthiourea

There total 6 articles about N'-(4-Chlorophenyl)-N,N-dimethylthiourea 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: 91.0%

4-Chlorophenyl isothiocyanate (2131-55-7) + dimethyl amine (124-40-3) → N,N-dimethyl-N'-p-chlorophenylthiourea (2212-17-1)

Guidance literature:

In benzene; at 0 - 20 ℃;

DOI:10.1080/10426500802391692

Reference yield: 42.0%

4-chloro-aniline (106-47-8) + 5-Dimethylamino-3-phenyl-[1,4,2]dithiazol-1-ylium; perchlorate → N,N-dimethyl-N'-p-chlorophenylthiourea (2212-17-1) + (4-Chloro-phenyl)-[3-phenyl-[1,4,2]dithiazol-(5E)-ylidene]-amine

Guidance literature:

With picoline; In acetonitrile; for 6h; Ambient temperature;

DOI:10.1246/bcsj.61.4043

Reference yield: 21.0%

N,N,2-Trimethyl-1-propen-1-amin (6906-32-7) + 4-Chlorophenyl isothiocyanate (2131-55-7) → N,N-dimethyl-N'-p-chlorophenylthiourea (2212-17-1) + N-(4-Chloro-phenyl)-2,2-dimethyl-3-oxo-thiopropionamide + 3-(4-Chlorphenyl)-6-(4-chlorphenylimino)-4-(dimethylamino)tetrahydro-5,5-dimethyl-2H-1,3-thiazin-2-thion (84661-87-0)

Guidance literature:

for 72h;

upstream raw materials:

4-Chlorophenyl isothiocyanate

dimethyl amine

Thiram

4-chloro-aniline

Downstream raw materials:

6-chloro-N,N-dimethylbenzo[d]thiazol-2-amine

3-(4-chlorophenyl)-1,1-dimethyl-2-phenyl-isothiourea

N'-(4-chlorophenyl)-N,N-dimethyl-2-phenylsulfanyl-benzamidine

phenyl-N'-(4-chlorophenyl)-N,N-dimethylcarbamimidothioate