5-(Pyridin-2-yl)-1,3,4-oxadiazole-2-thiol

Base Information

• Chemical Name: 5-(Pyridin-2-yl)-1,3,4-oxadiazole-2-thiol
• CAS No.: 3690-47-9
• Molecular Formula: C7H5N3OS
• Molecular Weight: 179.202
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60363340
• Nikkaji Number: J1.833.599I
• Wikidata: Q72504316
• ChEMBL ID: CHEMBL2269005
• Mol file: 3690-47-9.mol

Synonyms:3690-47-9;5-(pyridin-2-yl)-1,3,4-oxadiazole-2-thiol;5-pyridin-2-yl-1,3,4-oxadiazole-2-thiol;5-pyridin-2-yl-3H-1,3,4-oxadiazole-2-thione;5-(2-pyridinyl)-1,3,4-oxadiazole-2-thiol;5-(Pyridin-2-yl)-1,3,4-oxadiazole-2(3H)-thione;5-Pyridin-2-yl-[1,3,4]oxadiazole-2-thiol;SCHEMBL8629789;CHEMBL2269005;DTXSID60363340;MFCD00139078;STK519303;TOD100484;AKOS005100600;5-(2-pyridyl)-1,3,4-oxadiazole-2-thione;8D-050;EN300-235744;Z55879306;F2135-0159;5-(pyridin-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione

Chemical Property of 5-(Pyridin-2-yl)-1,3,4-oxadiazole-2-thiol

Chemical Property:

• Vapor Pressure: 0.00524mmHg at 25°C
• Melting Point: 205-210℃
• Boiling Point: 274.9oC at 760 mmHg
• Flash Point: 120.1oC
• PSA: 90.61000
• Density: 1.52g/cm3
• LogP: 1.42030
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 179.01533297
• Heavy Atom Count: 12
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

5-(pyridin-2-yl)-1,3,4-oxadiazole-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=NNC(=S)O2

Technology Process of 5-(Pyridin-2-yl)-1,3,4-oxadiazole-2-thiol

There total 13 articles about 5-(Pyridin-2-yl)-1,3,4-oxadiazole-2-thiol 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: 83.0%

carbon disulfide (75-15-0,12122-00-8) + picolinic acid hydrazide (1452-63-7) → 5-mercapto-2-(pyrid-2-yl)-1,3,4-oxadiazole (3690-47-9)

Guidance literature:

With potassium hydroxide; Heating;

DOI:10.1081/NCN-100105903

Reference yield: 83.0%

picolinic acid hydrazide (1452-63-7) → 5-mercapto-2-(pyrid-2-yl)-1,3,4-oxadiazole (3690-47-9)

Guidance literature:

With carbon disulfide; potassium hydroxide; In methanol; for 6h; Cooling with ice; Reflux;

Reference yield: 76.03%

→ 5-mercapto-2-(pyrid-2-yl)-1,3,4-oxadiazole (3690-47-9)

Guidance literature:

With potassium hydroxide; In ethanol; at 80 ℃; for 3h; Cooling with ice;

upstream raw materials:

picolinic acid hydrazide

2-Picolinic acid

carbon disulfide

ethyl-2-picolinate

Downstream raw materials:

1,2,4,5-tetrakis[5-(2-pyridyl)-1,3,4-oxadiazol-2-ylthiomethyl]benzene

6-Phenyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine