N-(6-Chloro-1,3-benzothiazol-2-yl)-N'-(4-methylphenyl)thiourea

Base Information

• Chemical Name: N-(6-Chloro-1,3-benzothiazol-2-yl)-N'-(4-methylphenyl)thiourea
• CAS No.: 1819-50-7
• Molecular Formula: C₁₅H₁₂ClN₃S₂
• Molecular Weight: 333.865
• DSSTox Substance ID: DTXSID40500897
• Wikidata: Q82352907
• Mol file: 1819-50-7.mol

Synonyms:1819-50-7;DTXSID40500897;N-(6-Chloro-1,3-benzothiazol-2-yl)-N'-(4-methylphenyl)thiourea

Chemical Property of N-(6-Chloro-1,3-benzothiazol-2-yl)-N'-(4-methylphenyl)thiourea

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 333.0161174
• Heavy Atom Count: 21
• Complexity: 374

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)C=C(C=C3)Cl

Technology Process of N-(6-Chloro-1,3-benzothiazol-2-yl)-N'-(4-methylphenyl)thiourea

There total 2 articles about N-(6-Chloro-1,3-benzothiazol-2-yl)-N'-(4-methylphenyl)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:

6-chloro-2-aminobenzothiazole (95-24-9) + 1-isothiocyanato-4-methylbenzene (622-59-3) → N-(p-tolyl)-N'-(6-chloro)benzothiazolylthiocarbamide (1819-50-7)

Guidance literature:

In benzene; for 6h; Heating;

Reference yield:

→ N-(p-tolyl)-N'-(6-chloro)benzothiazolylthiocarbamide (1819-50-7)

Guidance literature:

Amin , Isocyanat;

Reference yield:

N-(p-tolyl)-N'-(6-chloro)benzothiazolylthiocarbamide (1819-50-7) + 1-amino-3-(dimethylamino)propane (109-55-7) → N-(6-chloro-benzothiazol-2-yl)-N'-(3-dimethylamino-propyl)-N''-p-tolyl-guanidine (72128-87-1)

Guidance literature:

With lead(II) oxide; In ethanol;

upstream raw materials:

6-chloro-2-aminobenzothiazole

1-isothiocyanato-4-methylbenzene

Downstream raw materials:

N-(6-chloro-benzothiazol-2-yl)-N'-(3-dimethylamino-propyl)-N''-p-tolyl-guanidine

{Mn(CH₃C₆H₄NC(S)NH(C₇H₃NSCl))2(H₂O)2}