Potassium 4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate

Base Information

• Chemical Name: Potassium 4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate
• CAS No.: 6336-51-2
• Molecular Formula: C8H6 N2 S3 . K
• Molecular Weight: 264.437
• Hs Code.: 2934999090
• European Community (EC) Number: 228-718-1
• Nikkaji Number: J208.094J
• Mol file: 6336-51-2.mol

Synonyms:bismuthiol II

Chemical Property of Potassium 4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate

Chemical Property:

• Vapor Pressure: 0.000306mmHg at 25°C
• Melting Point: 247°C
• Boiling Point: 321°C at 760 mmHg
• Flash Point: 148°C
• PSA: 103.45000
• LogP: 3.21970
• Storage Temp.: Refrigerator
• Sensitive.: Hygroscopic
• Water Solubility.: It is soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 263.92519317
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Mercapto-3-phenyl-1,3,4-thiadiazole-2(3H)thione potassium salt ^*data from reagent suppliers

Safty Information:

• Statements: 20/22-36/37/38
• Safety Statements: 9-26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=S)SC(=N2)[S-].[K+]
• Uses: thiadiazole pharmaceutical intermediate 5-Mercapto-3-phenyl-1,3,4-thiadiazole-2(3H)-thione potassium salt, is used as a pharmaceutical intermediate.

Technology Process of Potassium 4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate

There total 2 articles about Potassium 4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate 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:

carbon disulfide (75-15-0,12122-00-8) + phenylhydrazine (100-63-0) → 5-mercapto-3-phenyl-Δ(4)-{1,3,4}thiadiazoline-2-thione, potassium salt (6336-51-2)

Guidance literature:

With potassium hydroxide;

Reference yield:

5-aminomercapto-3-phenyl-3H-[1,3,4]thiadiazole-2-thione (117889-21-1) → 5-mercapto-3-phenyl-Δ(4)-{1,3,4}thiadiazoline-2-thione, potassium salt (6336-51-2)

Guidance literature:

Reference yield: 100.0%

5-mercapto-3-phenyl-Δ(4)-{1,3,4}thiadiazoline-2-thione, potassium salt (6336-51-2) + 3-(4-methylphenyl)-5-(chloromethyl)-1,2,4-oxadiazole (50737-29-6) → 3-phenyl-5-{(3-p-tolyl-1,2,4-oxadiazol-5-yl)methylthio}-1,3,4-thiadiazole-2(3H)-thione (1119433-31-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 72h;

DOI:10.1080/10426500802625453

upstream raw materials:

carbon disulfide

phenylhydrazine

5-aminomercapto-3-phenyl-3H-[1,3,4]thiadiazole-2-thione

Downstream raw materials:

5-benzylsulfanyl-3-phenyl-3H-[1,3,4]thiadiazole-2-thione

3,3'-diphenyl-3H,3'H-5,5'-ethanediyldimercapto-bis-[1,3,4]thiadiazole-2-thione

5-methylsulfanyl-3-phenyl-3H-[1,3,4]thiadiazole-2-thione

5-(4-bromo-phenylsulfanyl)-3-phenyl-3H-[1,3,4]thiadiazole-2-thione