4-[(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-nitrobenzoate

Base Information

• Chemical Name: 4-[(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-nitrobenzoate
• CAS No.: 5743-20-4
• Molecular Formula: C18H12N4O5S
• Molecular Weight: 396.3767
• DSSTox Substance ID: DTXSID40364618
• Wikidata: Q82148670

Synonyms:5743-20-4;4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-nitrobenzoate;DTXSID40364618;STK267378;Caffeine, monohydrochloride, dihydrate;AKOS003310773;1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monohydrochloride, dihydrate;4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-nitrobenzoate;669716-15-8

Chemical Property of 4-[(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-nitrobenzoate

Chemical Property:

• Vapor Pressure: 3.53E-17mmHg at 25°C
• Boiling Point: 657.8°Cat760mmHg
• Flash Point: 351.6°C
• Density: 1.5g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 396.05284067
• Heavy Atom Count: 28
• Complexity: 602

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)OCC#CCSC2=NN=C(O2)C3=CC=NC=C3)[N+](=O)[O-]

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