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

Base Information

• Chemical Name: N-[5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiourea
• CAS No.: 89335-08-0
• Molecular Formula: C10H10N4OS2
• DSSTox Substance ID: DTXSID60527288
• Wikidata: Q82396446
• Mol file: 89335-08-0.mol

Synonyms:89335-08-0;SCHEMBL15617121;DTXSID60527288;N-[5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiourea

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

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 266.02960330
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NN=C(S2)NC(=S)N

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

There total 1 articles about N-[5-(4-Methoxyphenyl)-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:

5-(4-methoxy-phenyl)-[1,3,4]thiadiazol-2-ylamine (1014-25-1) → [5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-thiourea (89335-08-0)

Guidance literature:

With benzoyl chloride; Multistep reaction; 1.) acetone, refluxed, 30 min.; 2.) 15 min.;

Reference yield:

[5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-thiourea (89335-08-0) → 2-[(Z)-5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-ylimino]-5-methylaminomethyl-thiazolidin-4-one

Guidance literature:

Multi-step reaction with 2 steps

1: NaOAc / ethanol / 6 h / Heating

2: paraformaldehyde / ethanol / 4 h / Heating

With formaldehyd; sodium acetate; In ethanol;

Reference yield:

[5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-thiourea (89335-08-0) → 2-[(Z)-5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-ylimino]-5-[1-phenyl-meth-(Z)-ylidene]-thiazolidin-4-one

Guidance literature:

Multi-step reaction with 2 steps

1: NaOAc / ethanol / 6 h / Heating

2: ethanol / 4 h / Heating

With sodium acetate; In ethanol;

upstream raw materials:

5-(4-methoxy-phenyl)-[1,3,4]thiadiazol-2-ylamine

Downstream raw materials:

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

C₁₄H₁₄N₄O₂S₂

C₁₃H₁₂N₄O₂S₂