Ethyl cis-1-propenyl disulfide
PubChem CID: 6429311
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| Compound Synonyms | ethyl cis-1-propenyl disulfide, VKBZUZWFXVJIFI-HYXAFXHYSA-N |
|---|---|
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 50.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-1-(ethyldisulfanyl)prop-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C5H10S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VKBZUZWFXVJIFI-HYXAFXHYSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.404 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.157 |
| Compound Name | Ethyl cis-1-propenyl disulfide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.022 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 134.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.7344678 |
| Inchi | InChI=1S/C5H10S2/c1-3-5-7-6-4-2/h3,5H,4H2,1-2H3/b5-3- |
| Smiles | CCSS/C=C\C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients