6-ethenyl-4H-trithiine
PubChem CID: 5315241
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 75.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-ethenyl-4H-trithiine |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C5H6S3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UJHKOYDQEBADCI-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.539 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.927 |
| Compound Name | 6-ethenyl-4H-trithiine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 161.963 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 161.963 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 162.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1284848000000007 |
| Inchi | InChI=1S/C5H6S3/c1-2-5-3-4-6-8-7-5/h2-3H,1,4H2 |
| Smiles | C=CC1=CCSSS1 |
| 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 Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients