(E)-3-(prop-2-enyldisulfanyl)prop-2-enal
PubChem CID: 5317516
Connections displayed (default: 10).
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| Topological Polar Surface Area | 67.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(prop-2-enyldisulfanyl)prop-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C6H8OS2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MAEYCTWSMVXOQT-ZZXKWVIFSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.821 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.248 |
| Compound Name | (E)-3-(prop-2-enyldisulfanyl)prop-2-enal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 160.002 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.002 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 160.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.2344306 |
| Inchi | InChI=1S/C6H8OS2/c1-2-5-8-9-6-3-4-7/h2-4,6H,1,5H2/b6-3+ |
| Smiles | C=CCSS/C=C/C=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients