N-hydroxy-9-(methylthio)nonanethioamide
PubChem CID: 44237117
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| Compound Synonyms | CHEBI:133389, 9-[(methylthio)nonyl]thiohydroximate, N-hydroxy-9-(methylthio)nonanethioamide, 9-[(methylthio)nonyl]thiohydroximic acid, N-hydroxy-9-(methylsulfanyl)nonanethioamide, (E)-omega-(methylsulfanyl)nonyl-thiohydroximate, (E)-N-hydroxy-9-(methylsulfanyl)nonimidothioate |
|---|---|
| Topological Polar Surface Area | 89.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-hydroxy-9-methylsulfanylnonanethioamide |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Is Pains | False |
| Molecular Formula | C10H21NOS2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XVYHPPOLIATKBU-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Rotatable Bond Count | 9.0 |
| Compound Name | N-hydroxy-9-(methylthio)nonanethioamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 235.106 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 235.106 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 235.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4854916 |
| Inchi | InChI=1S/C10H21NOS2/c1-14-9-7-5-3-2-4-6-8-10(13)11-12/h12H,2-9H2,1H3,(H,11,13) |
| Smiles | CSCCCCCCCCC(=S)NO |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients