Allyl propyl tetrasulfide
PubChem CID: 527477
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| Compound Synonyms | allyl propyl tetrasulfide, WMYACRLMJNCCQB-UHFFFAOYSA-N, S-[2-(([Dimethyl(1-naphthyl)silyl]methyl)amino)ethyl] dihydrogen thiophosphate |
|---|---|
| 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 | CCCSSSSCC=C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Allyl sulfur compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(prop-2-enyltetrasulfanyl)propane |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C6H12S4 |
| Inchi Key | WMYACRLMJNCCQB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | allyl propyl tetrasulfide |
| Esol Class | Soluble |
| Functional Groups | C=CC, CSSSSC |
| Compound Name | Allyl propyl tetrasulfide |
| 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 | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12S4/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-6H2,2H3 |
| Smiles | CCCSSSSCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| 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