Butyl methyl sulfide
| Internal ID | a796ec5c-3042-4d21-bece-0c39b4e8610f |
| Taxonomy | Organosulfur compounds > Thioethers > Dialkylthioethers |
| IUPAC Name | 1-methylsulfanylbutane |
| SMILES (Canonical) | CCCCSC |
| SMILES (Isomeric) | CCCCSC |
| InChI | InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3 |
| InChI Key | WCXXISMIJBRDQK-UHFFFAOYSA-N |
| Popularity | 63 references in papers |
| Molecular Formula | C5H12S |
| Molecular Weight | 104.22 g/mol |
| Exact Mass | 104.06597156 g/mol |
| Topological Polar Surface Area (TPSA) | 25.30 Ų |
| XlogP | 2.10 |
| 628-29-5 |
| n-Butyl methyl sulfide |
| Butane, 1-(methylthio)- |
| 1-methylsulfanylbutane |
| Butyl methyl sulphide |
| 1-(Methylthio)butane |
| Sulfide, butyl methyl |
| 2-THIAHEXANE |
| Methyl butyl sulfide |
| Butyl methyl thioether |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 90.28% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.55% | 96.09% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.92% | 96.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.24% | 87.45% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.69% | 91.81% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.58% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.26% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.23% | 99.17% |
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.
| Rosa canina |
| PubChem | 12339 |
| LOTUS | LTS0114320 |
| wikiData | Q27255067 |