Bioactive Compound Details
| BioID | bio199214 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL271256 |
| Molecular Formula | C3H10BrNO2S2 |
| Molecular Weight | 236.16 |
| Molecular Weight (Monoisotopic) | 155.0075 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(Methylsulfonylthio)Ethanaminium Bromide|2-Aminoethylmethanethiosulphonate Hydrobromide |
| Smiles | Br.CS(=O)(=O)SCCN |
| Inchi | InChI=1S/C3H9NO2S2.BrH/c1-8(5,6)7-3-2-4;/h2-4H2,1H3;1H |
| Inchi Key | DMVGEUBCWCKGMY-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.67 |
| Records Key | ['ACS 42', '11, MTSEA'] |
| Records Name | ['2-(methylsulfonylthio)ethanaminium bromide', '2-aminoethylmethanethiosulphonate hydrobromide'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
