2-((Methylthiomethyl)Dithio)Pyridine-N-Oxide
PubChem CID: 45267926
Connections displayed (default: 10).
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| Compound Synonyms | 2-[(Methylthiomethyl)dithio]pyridine-N-oxide, 2-((Methylthiomethyl)Dithio)Pyridine-N-Oxide, 2-(((methylsulphanyl)methyl)disulphanyl)-1-pyridin-1-one, 2-{[(methylsulphanyl)methyl]disulphanyl}-1-pyridin-1-one, CHEMBL559906, 2-(methylsulfanylmethyldisulfanyl)-1-oxidopyridin-1-ium |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(methylsulfanylmethyldisulfanyl)-1-oxidopyridin-1-ium |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C7H9NOS3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MUHWXZGNCHKLDY-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -2.641 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.943 |
| Compound Name | 2-((Methylthiomethyl)Dithio)Pyridine-N-Oxide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 218.985 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.985 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 219.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2384072 |
| Inchi | InChI=1S/C7H9NOS3/c1-10-6-11-12-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3 |
| Smiles | CSCSSC1=CC=CC=[N+]1[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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