1-Propanesulfinothioic acid, S-methyl ester
| Internal ID | 1c1b2ddb-e512-4db5-9b87-ca85e8e411ea |
| Taxonomy | Organic acids and derivatives > Thiosulfinic acid esters |
| IUPAC Name | 1-methylsulfanylsulfinylpropane |
| SMILES (Canonical) | CCCS(=O)SC |
| SMILES (Isomeric) | CCCS(=O)SC |
| InChI | InChI=1S/C4H10OS2/c1-3-4-7(5)6-2/h3-4H2,1-2H3 |
| InChI Key | AKXGOGUBALGGDL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C4H10OS2 |
| Molecular Weight | 138.30 g/mol |
| Exact Mass | 138.01730729 g/mol |
| Topological Polar Surface Area (TPSA) | 61.60 Ų |
| XlogP | 0.80 |
| 125895-81-0 |
| Me-SS(O)-nPropyl |
| SCHEMBL7034340 |
| DTXSID80603593 |
| AKXGOGUBALGGDL-UHFFFAOYSA-N |
| S-Methyl propane-1-sulfinothioate |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 88.56% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.80% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.51% | 89.63% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.17% | 96.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Allium ampeloprasum |
| PubChem | 20209223 |
| LOTUS | LTS0029238 |
| wikiData | Q82501048 |