S-Propyl thiosulfate
| Internal ID | 40fec59d-b870-4137-b7f5-befc9f7e01cd |
| Taxonomy | Organic acids and derivatives > Organic thiosulfuric acids and derivatives > S-alkyl thiosulfates |
| IUPAC Name | 1-sulfosulfanylpropane |
| SMILES (Canonical) | CCCSS(=O)(=O)O |
| SMILES (Isomeric) | CCCSS(=O)(=O)O |
| InChI | InChI=1S/C3H8O3S2/c1-2-3-7-8(4,5)6/h2-3H2,1H3,(H,4,5,6) |
| InChI Key | XXRSQNIODUGKPF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C3H8O3S2 |
| Molecular Weight | 156.20 g/mol |
| Exact Mass | 155.99148646 g/mol |
| Topological Polar Surface Area (TPSA) | 88.00 Ų |
| XlogP | 0.40 |
| Propyl thiosulfate |
| 1-sulosulanylpropane |
| (propylsulfanyl)sulfonic acid |
| SCHEMBL742169 |
| CHEBI:169710 |
| 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 | 91.39% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.38% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.19% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.19% | 95.56% |
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 | 3083960 |
| LOTUS | LTS0154623 |
| wikiData | Q105344175 |