5-methyl-3H-dithiole
PubChem CID: 5319596
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL2932899 |
|---|---|
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 75.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-3H-dithiole |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C4H6S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCSKFDIEYBVILK-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.151 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.663 |
| Compound Name | 5-methyl-3H-dithiole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 117.991 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 117.991 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 118.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3857012 |
| Inchi | InChI=1S/C4H6S2/c1-4-2-3-5-6-4/h2H,3H2,1H3 |
| Smiles | CC1=CCSS1 |
| 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 Ulva Conglobata (Plant) Rel Props:Source_db:cmaup_ingredients