5-(p-Nitrophenylthio)-3-phenyl-1,3,4-thiadiazole-2(3H)-thione

Base Information

• Chemical Name: 5-(p-Nitrophenylthio)-3-phenyl-1,3,4-thiadiazole-2(3H)-thione
• CAS No.: 39572-15-1
• Molecular Formula: C14H9 N3 O2 S3
• Molecular Weight: 347.442
• Hs Code.: 2934999090
• European Community (EC) Number: 254-525-7
• DSSTox Substance ID: DTXSID30192689
• Nikkaji Number: J261.391C
• Wikidata: Q83065356
• Mol file: 39572-15-1.mol

Synonyms:5-(p-Nitrophenylthio)-3-phenyl-1,3,4-thiadiazole-2(3H)-thione;39572-15-1;EINECS 254-525-7;C14H9N3O2S3;DTXSID30192689;C14-H9-N3-O2-S3;5-[(4-Nitrophenyl)thio]-3-phenyl-1,3,4-thiadiazole-2(3H)-thione

Chemical Property of 5-(p-Nitrophenylthio)-3-phenyl-1,3,4-thiadiazole-2(3H)-thione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 511.8°Cat760mmHg
• Flash Point: 263.3°C
• PSA: 149.27000
• Density: 1.5g/cm³
• LogP: 5.24590
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 346.98569006
• Heavy Atom Count: 22
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=S)SC(=N2)SC3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 5-(p-Nitrophenylthio)-3-phenyl-1,3,4-thiadiazole-2(3H)-thione

There total 1 articles about 5-(p-Nitrophenylthio)-3-phenyl-1,3,4-thiadiazole-2(3H)-thione 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:

3-nitrophenyldiazonium chloride (2028-76-4) + 5-mercapto-3-phenyl-Δ(4)-{1,3,4}thiadiazoline-2-thione, potassium salt (6336-51-2) → 5-(4-nitro-phenylsulfanyl)-3-phenyl-3H-[1,3,4]thiadiazole-2-thione (39572-15-1)

Guidance literature:

With sodium acetate;

upstream raw materials:

3-nitrophenyldiazonium chloride

5-mercapto-3-phenyl-Δ(4)-{1,3,4}thiadiazoline-2-thione, potassium salt

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