1,2,5-Thiadiazole

Base Information

• Chemical Name: 1,2,5-Thiadiazole
• CAS No.: 288-39-1
• Molecular Formula: C₂H₂N₂S
• Molecular Weight: 86.1173
• DSSTox Substance ID: DTXSID10182982
• Nikkaji Number: J580.376D
• Wikidata: Q27120283
• Metabolomics Workbench ID: 56314
• Mol file: 288-39-1.mol

Synonyms:1,2,5-Thiadiazole;288-39-1;2,1,3-Thiadiazole;C2H2N2S;CHEBI:39469;DTXSID10182982;Q27120283

Chemical Property of 1,2,5-Thiadiazole

Chemical Property:

• Vapor Pressure: 74.4mmHg at 25°C
• Melting Point: -50.1°C
• Refractive Index: 1.5150 (estimate)
• Boiling Point: 86.5°Cat760mmHg
• Flash Point: 12.5°C
• PSA: 54.02000
• Density: 1.317g/cm³
• LogP: 0.53810
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 85.99386925
• Heavy Atom Count: 5
• Complexity: 26.8

Purity/Quality:

99% ^*data from raw suppliers

1,2,5-THIADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NSN=C1

Technology Process of 1,2,5-Thiadiazole

There total 4 articles about 1,2,5-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:

ethylenediamine (107-15-3,85404-18-8) → 1,2,5-thiadiazole (288-39-1,23091-39-6)

Guidance literature:

With tetrasulphur tetranitride; In xylene; for 3h; Heating;

Reference yield:

hexa-P-phenyl-P,P'-propane-1,3-diyldiamino-bis-phosphonium; dichloride (33355-82-7) → 1,2,5-thiadiazole (288-39-1,23091-39-6)

Guidance literature:

With sulfur tetrafluoride; triethylamine; In dichloromethane;

Reference yield:

1,2-diaminoethane dihydrochloride (333-18-6) → 1,2,5-thiadiazole (288-39-1,23091-39-6)

Guidance literature:

With sulfur monochloride;

DOI:10.1021/jp010830e

upstream raw materials:

hexa-P-phenyl-P,P'-propane-1,3-diyldiamino-bis-phosphonium; dichloride

ethylenediamine

1,2-diaminoethane dihydrochloride

Downstream raw materials:

diethyl sulphide

3-Ethyl-[1,2,5]selenadiazole

1,2,5-selenadiazole

ethanethiol

Refernces

Polarography of some 2,1,3 benzothiadiazoles, benzofurazans, 2,1,3 benzoselenadiazoles, and 3,4 disubstituted and fused 1,2,5 thiadiazoles

10.1002/jhet.5570110519

The research aimed to investigate the redox behavior of various heterocyclic compounds, specifically 2,1,3-benzothiadiazoles, benzofurazans, 2,1,3-benzoselenadiazoles, and 3,4-disubstituted and fused 1,2,5-thiadiazoles, in acetonitrile solutions using mercury and platinum electrodes. The study focused on derivatives containing alkyl, phenyl, bromo, chloro, cyano, nitro, methylsulfonyl, and trifluoromethylsulfonyl groups. The findings indicated that all ring systems and their derivatives were reversibly reduced initially in a one-electron step to their respective radical anions, with the exception of nitro and bromo derivatives, which were reduced preferentially at the substituent group. The research concluded that the potential at which the production of the radical anion occurred became more anodic as the electron-withdrawing ability of the substituent and the number of substituents increased, providing insights into the redox behavior of these compounds and their potential applications in artificial media as electron-transfer agents for ATP synthesis.