CAS 2131-62-6 appears in our catalog under these names: 4-Carboxyphenyl isothiocyanate, 95%, 4–Carboxyphenyl isothiocyanate, 4-Carboxyphenyl isothiocyanate, 4-Carboxyphenylisothiocyanate 97%, 4-isothiocyanatobenzoic acid, 97%, 97%. Offered by: Combi-blocks, GLPBio, Biosynth, Ambeed, Fluorochem. Available pack sizes: 10g, 5g, 1g, 25g, 100mg, 250mg.
4-isothiocyanatobenzoic acid is the isothiocyanate formed by substitution of an S=C=N group at the para-position of benzoic acid. It is functionally related to a benzoic acid. It is a conjugate acid of a 4-isothiocyanatobenzoate.
Source: ChEBI
| Molecular formula | C8H5NO2S |
|---|---|
| Molecular weight | 179.20 g/mol |
| IUPAC name | 4-isothiocyanatobenzoic acid |
| InChIKey | RBEFRYQKJYMLCC-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C(=O)O)N=C=S |
Computed by PubChem (NCBI)