N-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]thiourea

Base Information

• Chemical Name: N-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]thiourea
• CAS No.: 89335-09-1
• Molecular Formula: C9H7ClN4S2
• Molecular Weight: 270.766
• DSSTox Substance ID: DTXSID20527289
• Wikidata: Q82396448
• Mol file: 89335-09-1.mol

Synonyms:89335-09-1;N-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]thiourea;DTXSID20527289

Chemical Property of N-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]thiourea

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 269.9800663
• Heavy Atom Count: 16
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NN=C(S2)NC(=S)N)Cl

Technology Process of N-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]thiourea

There total 4 articles about N-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]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:

ammonium thiocyanate (1147550-11-5) + 2-amino-5-(4-chlorophenyl)-1,3,4-thiadiazole (28004-62-8) → [5-(4-Chloro-phenyl)-[1,3,4]thiadiazol-2-yl]-thiourea (89335-09-1)

Guidance literature:

With hydrogenchloride; In water; for 3h; Reflux;

Reference yield:

para-chlorobenzoic acid (74-11-3) → [5-(4-Chloro-phenyl)-[1,3,4]thiadiazol-2-yl]-thiourea (89335-09-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 2 h / Reflux

2: hydrogenchloride / water / 3 h / Reflux

With hydrogenchloride; sulfuric acid; In water;

Reference yield:

potassium thioacyanate (333-20-0) + 2-amino-5-(4-chlorophenyl)-1,3,4-thiadiazole (28004-62-8) → [5-(4-Chloro-phenyl)-[1,3,4]thiadiazol-2-yl]-thiourea (89335-09-1)

Guidance literature:

With hydrogenchloride; In ethanol; for 4h; Heating;

upstream raw materials:

potassium thioacyanate

2-amino-5-(4-chlorophenyl)-1,3,4-thiadiazole

para-chlorobenzoic acid

ammonium thiocyanate

Downstream raw materials:

2-[(Z)-5-(4-Chloro-phenyl)-[1,3,4]thiadiazol-2-ylimino]-thiazolidin-4-one

C₁₃H₁₁ClN₄OS₂

C₁₂H₉ClN₄OS₂