Bioactive Compound Details
| BioID | bio199075 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL111766 |
| Molecular Formula | C9H12S |
| Molecular Weight | 152.26 |
| Molecular Weight (Monoisotopic) | 152.066 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Isopropyl-Benzenethiol |
| Smiles | CC(C)c1ccccc1S |
| Inchi | InChI=1S/C9H12S/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3 |
| Inchi Key | QEDRUXIMTJVXFL-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.71 |
| Records Key | ['7'] |
| Records Name | ['2-Isopropyl-benzenethiol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
