5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol - CAS 3690-46-8
Catalog: |
BB023126 |
Product Name: |
5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol |
CAS: |
3690-46-8 |
Synonyms: |
5-pyridin-3-yl-3H-1,3,4-oxadiazole-2-thione |
IUPAC Name: | 5-pyridin-3-yl-3H-1,3,4-oxadiazole-2-thione |
Description: | 5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol (CAS# 3690-46-8) is a useful research chemical. |
Molecular Weight: | 179.20 |
Molecular Formula: | C7H5N3OS |
Canonical SMILES: | C1=CC(=CN=C1)C2=NNC(=S)O2 |
InChI: | InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-2-1-3-8-4-5/h1-4H,(H,10,12) |
InChI Key: | QBLWWQDTKCIRSW-UHFFFAOYSA-N |
Boiling Point: | 274.9 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.52 g/cm3 |
MDL: | MFCD00139080 |
LogP: | 1.42030 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113461630-A | Nootkatone thioether derivative containing 1,3, 4-oxadiazole ring, and preparation method and application thereof | 20210610 |
CN-112592339-A | 1,3, 4-oxadiazole-2 (3H) -thione-norfloxacin heterozygote and preparation method and application thereof | 20201222 |
US-2019217310-A1 | Method of using flotation collector containing azolethione structure | 20160923 |
WO-2018053948-A1 | Application of flotation collector containing azole-thione structure | 20160923 |
US-10737280-B2 | Method of using flotation collector containing azolethione structure | 20160923 |
PMID | Publication Date | Title | Journal |
22199545 | 20111201 | Tetra-aqua-bis-(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetato)-cobalt(II) monohydrate | Acta crystallographica. Section E, Structure reports online |
22058719 | 20111001 | Tetra-aqua-bis-(2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetato)-iron(II) | Acta crystallographica. Section E, Structure reports online |
20817328 | 20101101 | Design, synthesis and biological evaluation of 1,3,4-oxadiazole derivatives | European journal of medicinal chemistry |
11570218 | 20010701 | Studies on the synthesis and biological activity of 3-arylaminomethyl-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione derivatives | Bollettino chimico farmaceutico |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.01533297 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.01533297 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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