1-(3,4-Dichlorophenyl)-3-methylthiourea

Base Information

• Chemical Name: 1-(3,4-Dichlorophenyl)-3-methylthiourea
• CAS No.: 30954-78-0
• Molecular Formula: C8H8Cl2N2S
• Molecular Weight: 235.137
• DSSTox Substance ID: DTXSID90384588
• Wikidata: Q82176827
• Mol file: 30954-78-0.mol

Synonyms:1-(3,4-dichlorophenyl)-3-methylthiourea;30954-78-0;SCHEMBL10660750;DTXSID90384588;RYPFBMWLFMYKSV-UHFFFAOYSA-N;STK098687;AKOS000431046;CCG-240344;N-methyl-N'-(3,4-dichlorophenyl)thiourea;AB00030539-01

Chemical Property of 1-(3,4-Dichlorophenyl)-3-methylthiourea

Chemical Property:

• PSA: 63.19000
• LogP: 3.39390
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 233.9785248
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

1-(3,4-DICHLOROPHENYL)-3-METHYLTHIOUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3,4-Dichlorophenyl)-3-methylthiourea

There total 5 articles about 1-(3,4-Dichlorophenyl)-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: 69.0%

3,4-dichlorophenyl isothiocyanate (6590-94-9) + methylamine (74-89-5) → 1-(3,4-dichlorophenyl)-3-methylthiourea (30954-78-0)

Guidance literature:

In ethanol; at 80 ℃;

Reference yield:

m,p-dichloroaniline (95-76-1) → 1-(3,4-dichlorophenyl)-3-methylthiourea (30954-78-0)

Guidance literature:

Multi-step reaction with 2 steps

1: CaCO₃ / CH₂Cl₂; H₂O / 25 - 40 °C

2: ethanol / 2 h / Heating

With calcium carbonate; In ethanol; dichloromethane; water;

DOI:10.1016/0223-5234(90)90169-4

Reference yield:

methyl thioisocyanate (556-61-6) + m,p-dichloroaniline (95-76-1) → 1-(3,4-dichlorophenyl)-3-methylthiourea (30954-78-0)

Guidance literature:

With ethanol;

DOI:10.1021/ja01542a043

upstream raw materials:

3,4-dichlorophenyl isothiocyanate

methylamine

methyl thioisocyanate

m,p-dichloroaniline

Downstream raw materials:

6-((5-(3,4-dichlorophenylamino)-4-methyl-4H-1,2,4-triazol-3-yl)methoxy)quinolin-2(1H)-one

(Z)-methyl N'-3,4-dichlorophenyl-N-methylcarbamimidothioate hydroiodide

1-(3,4-Dichloro-phenyl)-2,3-dimethyl-isothiourea; hydriodide

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