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CHEBI:85098 - ethyl isothiocyanate
| Formula | C3H5NS |
| Net Charge | 0 |
| Average Mass | 87.147 |
| Monoisotopic Mass | 87.01427 |
| SMILES | CCN=C=S |
| InChI | InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3 |
| InChIKey | HBNYJWAFDZLWRS-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ethyl isothiocyanate (CHEBI:85098) has role allergen (CHEBI:50904) |
| ethyl isothiocyanate (CHEBI:85098) has role antineoplastic agent (CHEBI:35610) |
| ethyl isothiocyanate (CHEBI:85098) is a isothiocyanate (CHEBI:52221) |
| IUPAC Name |
|---|
| isothiocyanatoethane |
| Synonyms | Source |
|---|---|
| EITC | ChEBI |
| Ethyl isothiocyanate | ChEMBL |
| FEMA NO. 4420 | ChEMBL |
| Isothiocyanic acid, ethyl ester | ChemIDplus |
| NSC-84212 | ChEMBL |
| Citations |
|---|