Propyl cis-1-propenyl pentasulfide
PubChem CID: 6429314
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| Compound Synonyms | propyl cis-1-propenyl pentasulfide, FIABOFOWKCHXJG-HYXAFXHYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCSSSSS/C=CC |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Sulfenyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 93.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[[(Z)-prop-1-enyl]pentasulfanyl]propane |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C6H12S5 |
| Inchi Key | FIABOFOWKCHXJG-HYXAFXHYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | propyl cis-l-propenyl pentasulfide |
| Esol Class | Soluble |
| Functional Groups | C/C=CSSSSSC |
| Compound Name | Propyl cis-1-propenyl pentasulfide |
| Exact Mass | 243.954 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 243.954 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 244.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12S5/c1-3-5-7-9-11-10-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3- |
| Smiles | CCCSSSSS/C=C\C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 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