Methyl propyl pentasulfide
PubChem CID: 528716
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| Compound Synonyms | Methyl propyl pentasulfide, propyl methyl pentasulfide, RFDQTEOGCIIPEK-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCSSSSSC |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Sulfenyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(methylpentasulfanyl)propane |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C4H10S5 |
| Inchi Key | RFDQTEOGCIIPEK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | propyl methyl pentasulfide |
| Esol Class | Soluble |
| Functional Groups | CSSSSSC |
| Compound Name | Methyl propyl pentasulfide |
| Exact Mass | 217.939 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 217.939 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 218.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H10S5/c1-3-4-6-8-9-7-5-2/h3-4H2,1-2H3 |
| Smiles | CCCSSSSSC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Chinense (Plant) Rel Props:Reference:https://doi.org/10.1021/jf9907034 - 2. Outgoing r'ship
FOUND_INto/from Allium Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.1021/jf9907034