1-Propenyl allyl thiosulfinate
PubChem CID: 129704166
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| Compound Synonyms | 1-propenyl allyl thiosulfinate |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 70.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | C=CCSS=O)O/C=C/C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Allyl sulfur compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-prop-2-enylsulfanylsulfinyloxyprop-1-ene |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H10O2S2 |
| Inchi Key | WPDHUYWPDPXLNX-HWKANZROSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 1-propenyl allyl thiosulfinates, 1-propenyl-allyl-thiosulfinate |
| Esol Class | Very soluble |
| Functional Groups | C/C=C/OS(=O)SC, C=CC |
| Compound Name | 1-Propenyl allyl thiosulfinate |
| Exact Mass | 178.012 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.012 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 178.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H10O2S2/c1-3-5-8-10(7)9-6-4-2/h3-5H,2,6H2,1H3/b5-3+ |
| Smiles | C/C=C/OS(=O)SCC=C |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279