(2S)-1,2-bis(prop-2-enyldisulfanyl)propane
PubChem CID: 162859940
Connections displayed (default: 10).
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| Topological Polar Surface Area | 101.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-1,2-bis(prop-2-enyldisulfanyl)propane |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C9H16S4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LNLPZTXIDLLSJF-VIFPVBQESA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -5.527 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.582 |
| Compound Name | (2S)-1,2-bis(prop-2-enyldisulfanyl)propane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.013 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.013 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 252.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.896769 |
| Inchi | InChI=1S/C9H16S4/c1-4-6-10-12-8-9(3)13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3/t9-/m0/s1 |
| Smiles | C[C@@H](CSSCC=C)SSCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 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