Methyl 2-pyridyl disulfide
PubChem CID: 173923
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| Compound Synonyms | Methyl 2-pyridyl disulfide, 63434-91-3, 2-(methyldisulfanyl)pyridine, PySSM, Pyridine, 2-(methyldithio)-, 2-(Methyldithio)Pyridine, methyl 2-pyridyl disulphide, SCHEMBL70383, 2-(2-methyldisulfanyl)pyridine, CHEMBL454604, DTXSID60212849 |
|---|---|
| Topological Polar Surface Area | 63.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 77.5 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(methyldisulfanyl)pyridine |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C6H7NS2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BHANCCMWYDZQOR-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.451 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.756 |
| Compound Name | Methyl 2-pyridyl disulfide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 157.002 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.002 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 157.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.266263933333333 |
| Inchi | InChI=1S/C6H7NS2/c1-8-9-6-4-2-3-5-7-6/h2-5H,1H3 |
| Smiles | CSSC1=CC=CC=N1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Stipitatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all