Structure

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

CAS
3690-46-8
Catalog Number
ACM3690468
Category
Other Products
Molecular Weight
179.2
Molecular Formula
C7H5N3OS

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  • Case Study
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Specification

Synonyms
ZINC01254432, 3690-46-8
IUPAC Name
5-pyridin-3-yl-1,3,4-oxadiazole-2-thiolate
SMILES
C1=CC(=CN=C1)C2=NNC(=S)O2
InChI Key
QBLWWQDTKCIRSW-UHFFFAOYSA-M
Boiling Point
274.9ºC at 760mmHg
Melting Point
231ºC (dec.)
Flash Point
120.1ºC
Density
1.52g/cm³
Exact Mass
179.01500
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
5
H-Bond Donor
0
Safety Description
26-39

Upstream Synthesis Route 1

  • 75-15-0
  • 553-53-7
  • 3690-46-8

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

  • 3690-46-8
  • 70-11-1
  • 81555-95-5

Reference: [1]Sasaki, Tadashi; Ito, Eikoh; Shimizu, Ikuo
[Journal of Organic Chemistry, 1982, vol. 47, # 14, p. 2757 - 2760]

Downstream Synthesis Route 2

  • 3690-46-8
  • 3068-32-4
  • 386746-85-6

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]

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

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