Allyl thiocyanate
| Internal ID | bcabaedb-efbf-48e9-a0cd-0ed38e866855 |
| Taxonomy | Organosulfur compounds > Allyl sulfur compounds |
| IUPAC Name | prop-2-enyl thiocyanate |
| SMILES (Canonical) | C=CCSC#N |
| SMILES (Isomeric) | C=CCSC#N |
| InChI | InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2 |
| InChI Key | IFVYHJRLWCUVBB-UHFFFAOYSA-N |
| Popularity | 69 references in papers |
| Molecular Formula | C4H5NS |
| Molecular Weight | 99.16 g/mol |
| Exact Mass | 99.01427034 g/mol |
| Topological Polar Surface Area (TPSA) | 49.10 Ų |
| XlogP | 1.60 |
| 764-49-8 |
| Allylrhodanid |
| Thiocyanic acid, 2-propenyl ester |
| Thiocyanic acid, allyl ester |
| prop-2-enyl thiocyanate |
| (prop-2-en-1-ylsulfanyl)carbonitrile |
| 3-Thiocyanato-1-propene |
| Allylthiocyanate |
| Allylrhodanid [German] |
| 3-thiocyanatoprop-1-ene |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 85.56% | 96.42% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.66% | 83.57% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.78% | 91.76% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.68% | 89.34% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.49% | 96.43% |
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 |
| Eutrema japonicum |
| PubChem | 69816 |
| LOTUS | LTS0234813 |
| wikiData | Q104375706 |