| BioID | bio198224 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1253297 |
|---|
| Molecular Formula | C6H16BrNO2S2 |
|---|
| Molecular Weight | 278.24 |
|---|
| Molecular Weight (Monoisotopic) | 198.0617 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-(Trimethylammonium)Ethyl-Methanethiosulfonate Bromide |
|---|
| Smiles | C[N+](C)(C)CCSS(C)(=O)=O.[Br-] |
|---|
| Inchi | InChI=1S/C6H16NO2S2.BrH/c1-7(2,3)5-6-10-11(4,8)9;/h5-6H2,1-4H3;1H/q+1;/p-1 |
|---|
| Inchi Key | DZWJBKUVHJSHAR-UHFFFAOYSA-M |
|---|
| Molecular Species | None |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | -0.08 |
|---|
| Records Key | ['12, MTSET', 'MTSET'] |
|---|
| Records Name | ['2-(trimethylammonium)ethyl-methanethiosulfonate Bromide', 'N,N,N-trimethyl-2-[(methylsulfonyl)sulfanyl]ethanaminium bromide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
