5-Morpholino-1,2,3,4-thiatriazole

Base Information

• Chemical Name: 5-Morpholino-1,2,3,4-thiatriazole
• CAS No.: 3739-70-6
• Molecular Formula: C5H8 N4 O S
• Molecular Weight: 172.211
• Hs Code.: 2934999090
• European Community (EC) Number: 223-124-9
• DSSTox Substance ID: DTXSID70190826
• Nikkaji Number: J205.643G
• Wikidata: Q83063274
• Mol file: 3739-70-6.mol

Synonyms:5-Morpholino-1,2,3,4-thiatriazole;3739-70-6;EINECS 223-124-9;C5H8N4OS;4-(thiatriazol-5-yl)morpholine;SCHEMBL3361455;DTXSID70190826

Chemical Property of 5-Morpholino-1,2,3,4-thiatriazole

Chemical Property:

• Vapor Pressure: 0.00165mmHg at 25°C
• Boiling Point: 294.1°Cat760mmHg
• Flash Point: 131.7°C
• PSA: 79.38000
• Density: 1.412g/cm³
• LogP: -0.16530
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 172.04188206
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=NN=NS2

Technology Process of 5-Morpholino-1,2,3,4-thiatriazole

There total 3 articles about 5-Morpholino-1,2,3,4-thiatriazole 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: 58.0%

morpholine-4-thiocarbonyl chloride (19009-44-0) → 5-morpholino-1,2,3,4-thiatriazole (3739-70-6)

Guidance literature:

With sodium azide; In acetone; at 20 ℃; for 19h;

DOI:10.1002/hlca.200790060

Reference yield:

3-methyl-1-(morpholin-4-ylcarbonothioyl)-1H-imidazol-3-ium iodide → 5-morpholino-1,2,3,4-thiatriazole (3739-70-6)

Guidance literature:

With sodium azide; In acetonitrile; at 20 ℃;

DOI:10.1016/S0040-4039(02)01714-8

Reference yield:

4-morpholinothiosemicarbazide (6499-15-6) → 5-morpholino-1,2,3,4-thiatriazole (3739-70-6)

Guidance literature:

With sodium nitrite;

upstream raw materials:

4-morpholinothiosemicarbazide

morpholine-4-thiocarbonyl chloride

Refernces

• 1、 Ponzo, Marisa G,Evindar, Ghotas,Batey, Robert A. "An efficient protocol for the formation of aminothiatriazoles from thiocarbamoylimidazolium salts". . p. 7601 - 7604. Retrieved 2007/10/03.