1-Oxidopyridine-2-thione
PubChem CID: 19659
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| Compound Synonyms | 1-oxidopyridine-2-thione, SCHEMBL113851, US11491146, Compound 2b, BDBM580195, NCGC00247906-01, NCGC00248446-01, NCGC00248446-02 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 58.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | WLPOMAGOKQZDIN-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Compound Name | 1-Oxidopyridine-2-thione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.001 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 126.001 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 126.16 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-oxidopyridine-2-thione |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.8008919999999997 |
| Inchi | InChI=1S/C5H4NOS/c7-6-4-2-1-3-5(6)8/h1-4H/q-1 |
| Smiles | C1=CC(=S)N(C=C1)[O-] |
| Xlogp | 0.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C5H4NOS- |
- 1. Outgoing r'ship
FOUND_INto/from Fritillaria Ebeiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polyalthia Nemoralis (Plant) Rel Props:Source_db:cmaup_ingredients