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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CNC(=S)C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)F |
|---|---|
| IUPAC Name | 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridine-2-thione |
| InChIKey | RCDSEBGBBOPTPD-UHFFFAOYSA-N |
| INCHI | 1S/C13H8FN3OS/c14-9-5-3-8(4-6-9)11-16-12(18-17-11)10-2-1-7-15-13(10)19/h1-7H,(H,15,19) |
| PubChem CID | 135631992 |
| Molecular Weight | 273.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Molecular Weight | 273.290 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 273.037 Da |
| Monoisotopic Mass | 273.037 Da |
| Topological Polar Surface Area | 83.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 418.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |