1-(Methylthio)-1-propene
PubChem CID: 142629
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| Compound Synonyms | 10152-77-9, 1-methylsulfanylprop-1-ene, 1-Propene, 1-(methylthio)-, 1-(Methylthio)-1-propene, DTXSID20864227, Methyl 1-propenyl sulphide, methylthiopropene, 1-(METHYLSULFANYL)PROP-1-ENE, DTXCID50812771, FM63391, NS00126937 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CSC=CC |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Thioethers |
| Classyfire Subclass | Thioenol ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 30.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylsulfanylprop-1-ene |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8S |
| Inchi Key | YJOGCMRDEUBRJD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 1-propene,1-(methyl thio), 1-propene,1-(methylthio), 1-propene,1-(methylthio)-, 1-propene,1-methylthio |
| Esol Class | Very soluble |
| Functional Groups | CC=CSC |
| Compound Name | 1-(Methylthio)-1-propene |
| Exact Mass | 88.0347 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 88.0347 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 88.17 |
| 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/C4H8S/c1-3-4-5-2/h3-4H,1-2H3 |
| Smiles | CC=CSC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Allium Wallichii (Plant) Rel Props:Reference:https://doi.org/10.1016/s0167-4501(06)80207-4