Hexa-1,5-diene-3,4-dithiol
PubChem CID: 46835320
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| Compound Synonyms | hexa-1,5-diene-3,4-dithiol, AKOS015856662, A832244 |
|---|---|
| Topological Polar Surface Area | 2.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexa-1,5-diene-3,4-dithiol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C6H10S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WHSNQWMIYBTVHE-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.386 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.376 |
| Compound Name | Hexa-1,5-diene-3,4-dithiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.022 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 146.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.909736 |
| Inchi | InChI=1S/C6H10S2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2 |
| Smiles | C=CC(C(C=C)S)S |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taxus Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients