Propyl-(Z)-propenyl tetrasulfide
PubChem CID: 6429315
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| Compound Synonyms | Propyl-(Z)-propenyl tetrasulfide, RKTJCWCBNXCDDQ-HYXAFXHYSA-N, propyl cis-1-propenyl tetrasulfide, Propyl (Z)-1-propenyl tetrasulfide |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCSSSS/C=CC |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Sulfenyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 81.8 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[[(Z)-prop-1-enyl]tetrasulfanyl]propane |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C6H12S4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RKTJCWCBNXCDDQ-HYXAFXHYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6666666666666666 |
| Rotatable Bond Count | 6.0 |
| Synonyms | propyl cis-l-propenyl tetrasulfide |
| Esol Class | Soluble |
| Functional Groups | C/C=CSSSSC |
| Compound Name | Propyl-(Z)-propenyl tetrasulfide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 211.982 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.982 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 212.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.903066 |
| Inchi | InChI=1S/C6H12S4/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3- |
| Smiles | CCCSSSS/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:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.1021/jf9907034