1-Methylsulfonylsulfanylprop-1-ene
PubChem CID: 529381
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 67.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | PGMBAYKBYBXNNR-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 8.0 |
| Compound Name | 1-Methylsulfonylsulfanylprop-1-ene |
| Description | Methane sulfinothiocic acid 2-propenyl-ester is a member of the class of compounds known as sulfonyls. Sulfonyls are compounds containing the sulfonyl group, with the general structure RS(=O)2R' ( R,R' must not be H). Methane sulfinothiocic acid 2-propenyl-ester is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methane sulfinothiocic acid 2-propenyl-ester can be found in soft-necked garlic, which makes methane sulfinothiocic acid 2-propenyl-ester a potential biomarker for the consumption of this food product. |
| Exact Mass | 151.997 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.997 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylsulfonylsulfanylprop-1-ene |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C4H8O2S2/c1-3-4-7-8(2,5)6/h3-4H,1-2H3 |
| Smiles | CC=CSS(=O)(=O)C |
| Xlogp | 0.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C4H8O2S2 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all