1-Methylsulfanyl-1-(prop-1-enyldisulfanyl)propane
PubChem CID: 5319790
Connections displayed (default: 10).
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| Topological Polar Surface Area | 75.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C7H14S3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IBBCARUEUHCYHK-UHFFFAOYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -3.298 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.455 |
| Compound Name | 1-Methylsulfanyl-1-(prop-1-enyldisulfanyl)propane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.026 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.026 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 194.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.8194179999999998 |
| Inchi | InChI=1S/C7H14S3/c1-4-6-9-10-7(5-2)8-3/h4,6-7H,5H2,1-3H3 |
| Smiles | CCC(SC)SSC=CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ferula Assafoetida (Plant) Rel Props:Source_db:cmaup_ingredients