1,2,3-Thiadiazole

Base Information

• Chemical Name: 1,2,3-Thiadiazole
• CAS No.: 288-48-2
• Molecular Formula: C2H2 N2 S
• Molecular Weight: 86.1173
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30182984
• Nikkaji Number: J5.454B
• Wikidata: Q27120269
• Metabolomics Workbench ID: 56313
• Mol file: 288-48-2.mol

Synonyms:1,2,3-Thiadiazole;288-48-2;CHEBI:39468;DTXSID30182984;Q27120269

Chemical Property of 1,2,3-Thiadiazole

Chemical Property:

• Vapor Pressure: 27.5mmHg at 25°C
• Boiling Point: 110.8°Cat760mmHg
• Flash Point: 28.3°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: 30.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSN=N1
• Description: 1,2,3-Thiadiazole is a five-membered, π-excessive, stable, almost planar, unsaturated, conjugated, heteroaromatic comprised of one sulfur atom, two adjacent nitrogen atoms (S–N–N), and two carbon atoms. There are four possible noninterconvertible regioisomeric structures depending on the relative position of heteroatoms.
• Physical properties: The parent 1,2,3-thiadiazole is a yellow-colored liquid with a bp of 157°C. It is a weak base, thermally stable, and soluble in water and most of the organic solvents such as alcohol, ether, DCM, and chloroform.
• Uses: 1,2,3-Thiadiazoles have broader applications as insecticide synergists, cross-linked polymer compounds, and herbicides. Besides agro-applications there are other applications such as sedative, antibacterial and antibiotic, antiviral, and neurodegenerative.

Technology Process of 1,2,3-Thiadiazole

There total 6 articles about 1,2,3-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: 80.0%

1,2,3-thiadiazole-4-carboxylic acid (4100-13-4) → 1,2,3-thiadiazole (288-48-2)

Guidance literature:

at 230 - 260 ℃;

Reference yield:

dipotassium hydrogenphosphate + phenethylamine (64-04-0) + 5-bromo-2-amino-1,3,4-thiadiazole (37566-39-5) → 1,2,3-thiadiazole (288-48-2) + N-(5-Amino-1,3,4-thiadiazol-2-yl)-N-phenethylamine

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield:

→ 1,2,3-thiadiazole (288-48-2) + N-(4-chlorobenzyl)-8-fluoro-4-hydroxy-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-quinolinecarboxamide

Guidance literature:

upstream raw materials:

1,2,3-thiadiazole-4-carboxylic acid

phenethylamine

5-bromo-2-amino-1,3,4-thiadiazole

Downstream raw materials:

1,3-dithiol-2-thione

2-amino-5-[N-(1,3-benzodioxol-5-ylmethyl)amino]-1,3,4-thiadiazole

4,5-Bis-[4-(N-ethylamino)-phenyl]-1,2,3-thiadiazole

4,5-Bis-(4-hydroxyphenyl)-1,2,3-thiadiazole

Refernces

• 1、 -. "4-hydroxyquinoline-3-carboxamides and hydrazides as antiviral agents". . . Retrieved 2008/06/13.
• 2、 Abramov,Petrov. "1,3-Dithiol-4,5-dithiolate and 5,6-Dihydro-1,4-diselenin-2,3-dithiolate Nickel Complexes". . p. 1635 - 1640. Retrieved 2007/10/03.