5-(4-Pyridyl)-1,3,4-oxadiazole-2-thiol

• CAS: 15264-63-8
• Catalog Number: ACM15264638
• Category: Organic & Printed Electronics
• Molecular Weight: 179.2g/mol
• Molecular Formula: C7H5N3OS
• Synonyms: 5-(4-PYRIDINYL)-1,3,4-OXADIAZOL-2-YLHYDROSULFIDE;5-(4-PYRIDINYL)-1,3,4-OXADIAZOLE-2-THIOL;5-(4-PYRIDYL)-1,3,4-OXADIAZOLE-2-THIOL;5-(PYRIDIN-4-YL)-1,3,4-OXADIAZOLE-2-THIOL;BUTTPARK 54\40-05;ASISCHEM A49307;RARECHEM BG FB 0052;5-(4-pyridyl)-1,3,4-oxadiazole
• IUPAC Name: 5-pyridin-4-yl-3H-1,3,4-oxadiazole-2-thione
• Canonical SMILES: C1=CN=CC=C1C2=NNC(=S)O2
• InChI: InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h1-4H,(H,10,12)
• InChI Key: TXCXZVFDWQYTIC-UHFFFAOYSA-N
• Complexity: 223
• Covalently-Bonded Unit Count: 1
• Exact Mass: 179.015333g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 12
• Monoisotopic Mass: 179.015333g/mol
• Rotatable Bond Count: 1
• XLogP3: 1

Synthetic Use

Upstream Synthesis Route 1

• 75-15-0
• 54-85-3

• 15264-63-8

Reference: [1]Ahmad, Roshan; Iqbal, Rashid; Akhtar, Humaira; Duddeck, Helmut; Stefaniak, Lech; Sitkowski, Jerzy
[Nucleosides, nucleotides and nucleic acids, 2001, vol. 20, # 9, p. 1671 - 1682]

Downstream Synthesis Route 1

• 15264-63-8

• 64001-70-3

Reference: [1]Yoshida; Asai
[Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 951][Chem.Abstr., 1955, p. 10938]

Downstream Synthesis Route 2

• 50-00-0
• 15264-63-8
• 21436-98-6

• 103994-80-5

Reference: [1]European Journal of Medicinal Chemistry,1986,vol. 21,p. 267 - 269

* For details of the synthesis route, please refer to the original source to ensure accuracy.