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CHEBI:64464 - 4-isothiocyanatobenzoic acid
| Formula | C8H5NO2S |
| Net Charge | 0 |
| Average Mass | 179.200 |
| Monoisotopic Mass | 179.00410 |
| SMILES | O=C(O)c1ccc(N=C=S)cc1 |
| InChI | InChI=1S/C8H5NO2S/c10-8(11)6-1-3-7(4-2-6)9-5-12/h1-4H,(H,10,11) |
| InChIKey | RBEFRYQKJYMLCC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-isothiocyanatobenzoic acid (CHEBI:64464) has functional parent benzoic acid (CHEBI:30746) |
| 4-isothiocyanatobenzoic acid (CHEBI:64464) is a isothiocyanate (CHEBI:52221) |
| 4-isothiocyanatobenzoic acid (CHEBI:64464) is conjugate acid of 4-isothiocyanatobenzoate (CHEBI:64463) |
| Incoming Relation(s) |
| 4-isothiocyanatobenzoate (CHEBI:64463) is conjugate base of 4-isothiocyanatobenzoic acid (CHEBI:64464) |
| IUPAC Name |
|---|
| 4-isothiocyanatobenzoic acid |
| Synonyms | Source |
|---|---|
| 4-Icba | ChemIDplus |
| 4-carboxyphenyl isothiocyanate | ChEBI |