Propylsulfanyl acetate
PubChem CID: 57360392
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| Compound Synonyms | SCHEMBL1532585 |
|---|---|
| Topological Polar Surface Area | 51.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propylsulfanyl acetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C5H10O2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | VPQXQYWWGHLTKF-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.783 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.486 |
| Compound Name | Propylsulfanyl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.04 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.04 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 134.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.32154 |
| Inchi | InChI=1S/C5H10O2S/c1-3-4-8-7-5(2)6/h3-4H2,1-2H3 |
| Smiles | CCCSOC(=O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:cmaup_ingredients