Z-4,9-Diene-2,3,7-trithiadeca-7-oxide
PubChem CID: 5316672
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| Compound Synonyms | Z-4,9-Diene-2,3,7-trithiadeca-7-oxide, SCHEMBL10729299, CHEBI:229197, (Z)-1-(methyldisulanyl)-3-prop-2-enylsulinylprop-1-ene |
|---|---|
| Topological Polar Surface Area | 86.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-1-(methyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C7H12OS3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AHJWMSQZOWKKJQ-PLNGDYQASA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -1.88 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.47 |
| Compound Name | Z-4,9-Diene-2,3,7-trithiadeca-7-oxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.005 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.005 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 208.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.4100126 |
| Inchi | InChI=1S/C7H12OS3/c1-3-6-11(8)7-4-5-10-9-2/h3-5H,1,6-7H2,2H3/b5-4- |
| Smiles | CSS/C=C\CS(=O)CC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients