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

Base Information

• Chemical Name: 5-(Pyridin-3-yl)-1,3,4-oxadiazole-2-thiol
• CAS No.: 3690-46-8
• Molecular Formula: C7H5N3OS
• Molecular Weight: 179.202
• Hs Code.: 2934999090
• European Community (EC) Number: 625-844-2
• DSSTox Substance ID: DTXSID60349760
• Nikkaji Number: J1.833.596D
• Wikidata: Q72504728
• ChEMBL ID: CHEMBL1276244
• Mol file: 3690-46-8.mol

Synonyms:3690-46-8;5-(pyridin-3-yl)-1,3,4-oxadiazole-2-thiol;5-(3-PYRIDINYL)-1,3,4-OXADIAZOLE-2-THIOL;5-pyridin-3-yl-3H-1,3,4-oxadiazole-2-thione;5-(pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-thione;5-(3-pyridyl)-1,3,4-oxadiazole-2-thione;5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol;5-pyridin-3-yl-1,3,4-oxadiazole-2-thiol;1,3,4-Oxadiazole-2-thiol, 5-(3-pyridinyl)-;MLS000079994;SCHEMBL3610426;CHEMBL1276244;SCHEMBL21144405;DTXSID60349760;HMS2397N04;MFCD00139080;STK396892;STK508278;TOD101268;AKOS000295967;AKOS001054752;SMR000035316;CS-0156818;EU-0065315;FT-0680635;EN300-05092;8D-054;D94936;2-Mercapto-5-(pyrid-3-yl)-1,3,4-oxadiazole;A823447;5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol, 97%;J-516392;Z55879316;F1145-0006;F2135-0160;5-(pyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione

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

Chemical Property:

• Vapor Pressure: 0.00524mmHg at 25°C
• Melting Point: 231 °C (dec.)
• Refractive Index: 1.744
• Boiling Point: 274.9 °C at 760 mmHg
• Flash Point: 120.1 °C
• PSA: 90.61000
• Density: 1.52 g/cm³
• LogP: 1.42030
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• 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-3-yl)-1,3,4-oxadiazole-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

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

There total 15 articles about 5-(Pyridin-3-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: 85.0%

carbon disulfide (75-15-0,12122-00-8) + Nicotinic acid hydrazide (553-53-7) → 5-(3-pyridinyl)-1,3,4-oxadiazol-2-thiol (3690-46-8)

Guidance literature:

With potassium hydroxide; Heating;

DOI:10.1081/NCN-100105903

Reference yield: 85.0%

carbon disulfide (75-15-0,12122-00-8) + Nicotinic acid hydrazide (553-53-7) → 5-(pyridin-3''-yl)-1,3,4-oxadiazole-2(3H)-thione (3690-46-8)

Guidance literature:

With sodium hydroxide; In ethanol; for 3.5h; Heating;

DOI:10.1071/CH9831469

Reference yield: 79.16%

→ 5-(3-pyridinyl)-1,3,4-oxadiazol-2-thiol (3690-46-8)

Guidance literature:

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

upstream raw materials:

carbon disulfide

Nicotinic acid hydrazide

nicotinic acid

3-pyridinecarboxylic acid ethyl ester

Downstream raw materials:

1-Phenyl-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone

4-{[1H-indol-3-ylmethylene]amino}-5-pyridin-3-yl-2,4-dihydro-3H-1,2,4-triazole-3-thione

4-amino-5-(pyridine-3-yl)-4,5-dihydro-3H-1,2,4-triazole-3-thione

4-benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol