3,5-Diphenyl-1,2,4-thiadiazole

Base Information

• Chemical Name: 3,5-Diphenyl-1,2,4-thiadiazole
• CAS No.: 4115-15-5
• Molecular Formula: C14H10N2S
• Molecular Weight: 238.313
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30194082
• Nikkaji Number: J343.841D
• Wikidata: Q83066829
• ChEMBL ID: CHEMBL264401
• Mol file: 4115-15-5.mol

Synonyms:3,5-Diphenyl-1,2,4-thiadiazole;1,2,4-Thiadiazole, 3,5-diphenyl-;BRN 0172290;4115-15-5;AI3-62437;CHEMBL264401;4-27-00-07211 (Beilstein Handbook Reference);diphenyl-1,2,4-thiadiazole;SCHEMBL2212694;DTXSID30194082;Cl-5998;3,5-diphenyl-[1,2,4]thiadiazole;BDBM50361942;LS-150290

Chemical Property of 3,5-Diphenyl-1,2,4-thiadiazole

Chemical Property:

• Vapor Pressure: 2.44E-06mmHg at 25°C
• Melting Point: 90 °C
• Boiling Point: 403.1°Cat760mmHg
• PKA: -0.87±0.30(Predicted)
• Flash Point: 189.2°C
• PSA: 54.02000
• Density: 1.216g/cm³
• LogP: 3.87210
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.05646950
• Heavy Atom Count: 17
• Complexity: 234

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NSC(=N2)C3=CC=CC=C3

Technology Process of 3,5-Diphenyl-1,2,4-thiadiazole

There total 94 articles about 3,5-Diphenyl-1,2,4-thiadiazole 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: 100.0%

2,6-di-tert-butyl-4-phenyl-6H-1,3,5-oxathiazine S-oxide → 3,5-diphenyl-[1,2,4]thiadiazole (4115-15-5) + pivalaldehyde (630-19-3)

Guidance literature:

In chloroform-d1; at 25 ℃; for 800h;

DOI:10.1002/hc.20004

Reference yield: 80.0%

benzenecarbothioamide (2227-79-4) → 3,5-diphenyl-[1,2,4]thiadiazole (4115-15-5) + benzonitrile (100-47-0)

Guidance literature:

With bis(4-methoxyphenyl)-λ⁴-tellanediyl diacetate; In acetonitrile; at 25 ℃; for 12h; Rate constant; other reagents and solvents and time;

DOI:10.1246/bcsj.61.2117

Reference yield: 80.0%

diphenyl-N-(p-toluenesulfonyl)selenimide (52867-19-3) + benzenecarbothioamide (2227-79-4) → 3,5-diphenyl-[1,2,4]thiadiazole (4115-15-5) + diphenylselenide (1132-39-4) + toluene-4-sulfonamide (70-55-3)

Guidance literature:

In methanol; for 1h; Mechanism; Ambient temperature;

upstream raw materials:

N-thiobenzoyl benzamidine

Thiobenzamide S-oxide

benzenecarbothioamide

benzenesulfonyl chloride

Downstream raw materials:

2,4,6-triphenyl-1,3,5-triazine

benzonitrile