1,3-Dithiole
PubChem CID: 5316944
Connections displayed (default: 10).
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| Compound Synonyms | 1,3-dithiole, 288-74-4, DTXSID40415715, 1,3-dithioles, H3S82P9ZAT, SCHEMBL22569, CHEBI:48860, DTXCID70366564 |
|---|---|
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 42.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dithiole |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C3H4S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IVJFXSLMUSQZMC-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.356 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.475 |
| Compound Name | 1,3-Dithiole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 103.975 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 103.975 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 104.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3680338 |
| Inchi | InChI=1S/C3H4S2/c1-2-5-3-4-1/h1-2H,3H2 |
| Smiles | C1SC=CS1 |
| Nring | 7.0 |
| 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 Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (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 Panax Pseudo (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Panax Pseudo-Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients