4-[(2S)-thiiran-2-yl]butanenitrile
| Internal ID | 05c7d127-06f2-45ea-bc3f-a53306bfe6b8 |
| Taxonomy | Organoheterocyclic compounds > Thiiranes |
| IUPAC Name | 4-[(2S)-thiiran-2-yl]butanenitrile |
| SMILES (Canonical) | C1C(S1)CCCC#N |
| SMILES (Isomeric) | C1[C@@H](S1)CCCC#N |
| InChI | InChI=1S/C6H9NS/c7-4-2-1-3-6-5-8-6/h6H,1-3,5H2/t6-/m0/s1 |
| InChI Key | GWYOVZVXBRVBBE-LURJTMIESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C6H9NS |
| Molecular Weight | 127.21 g/mol |
| Exact Mass | 127.04557046 g/mol |
| Topological Polar Surface Area (TPSA) | 49.10 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 4-[(2S)-thiiran-2-yl]butanenitrile](https://plantaedb.com/storage/docs/compounds/2023/11/4-2s-thiiran-2-ylbutanenitrile.jpg "2D Structure of 4-[(2S)-thiiran-2-yl]butanenitrile")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.39% | 96.09% |
| CHEMBL3529 | Q14164 | Inhibitor of nuclear factor kappa B kinase epsilon subunit | 88.04% | 98.19% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.87% | 95.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.37% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.33% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.14% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.83% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.47% | 96.43% |
| CHEMBL2835 | P23458 | Tyrosine-protein kinase JAK1 | 84.20% | 98.79% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 82.98% | 91.76% |
| CHEMBL228 | P31645 | Serotonin transporter | 81.59% | 95.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.28% | 98.95% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.67% | 96.25% |
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.
| Brassica juncea |
| Brassica napus |
| PubChem | 163000310 |
| LOTUS | LTS0088566 |
| wikiData | Q105022911 |