EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H17N3S |
| Net Charge | 0 |
| Average Mass | 235.356 |
| Monoisotopic Mass | 235.11432 |
| SMILES | CCN1CN(Cc2ccccc2)CNC1=S |
| InChI | InChI=1S/C12H17N3S/c1-2-15-10-14(9-13-12(15)16)8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,16) |
| InChIKey | OXOCBHPYFBVZDH-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-ethyl-5-(phenylmethyl)-1,3,5-triazinane-2-thione (CHEBI:121608) is a aralkylamine (CHEBI:18000) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33051 | LINCS |