(3R)-3-ethenyl-3,4-dihydrodithiine
PubChem CID: 163068352
Connections displayed (default: 10).
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| Topological Polar Surface Area | 50.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-ethenyl-3,4-dihydrodithiine |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C6H8S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NLHCAGKOLUBCBZ-LURJTMIESA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.516 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.575 |
| Compound Name | (3R)-3-ethenyl-3,4-dihydrodithiine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.007 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.007 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 144.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9599367999999997 |
| Inchi | InChI=1S/C6H8S2/c1-2-6-4-3-5-7-8-6/h2-3,5-6H,1,4H2/t6-/m0/s1 |
| Smiles | C=C[C@H]1CC=CSS1 |
| Nring | 1.0 |
| 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 - 10. Outgoing r'ship
FOUND_INto/from Zanthoxylum Dissitum (Plant) Rel Props:Source_db:cmaup_ingredients