Ethyl cis-1-propenyl sulfide
PubChem CID: 5463194
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| Compound Synonyms | ethyl cis-1-propenyl sulfide, SCHEMBL9885792, GBUNXBFHVUCURS-HYXAFXHYSA-N, 1-Propene, 1-(ethylthio)-, (Z)- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCS/C=CC |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Thioethers |
| Classyfire Subclass | Thioenol ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 39.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-1-ethylsulfanylprop-1-ene |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10S |
| Inchi Key | GBUNXBFHVUCURS-HYXAFXHYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | ethyl cis-1-propenyl sulfide |
| Esol Class | Very soluble |
| Functional Groups | C/C=CSC |
| Compound Name | Ethyl cis-1-propenyl sulfide |
| Exact Mass | 102.05 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.05 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 102.2 |
| 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 |
| Inchi | InChI=1S/C5H10S/c1-3-5-6-4-2/h3,5H,4H2,1-2H3/b5-3- |
| Smiles | CCS/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