Terminology Service for NFDI4Health
4-isothiocyanatobenzoic acid
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http://purl.obolibrary.org/obo/CHEBI_64464
The isothiocyanate formed by substitution of an S=C=N- group at the para-position of benzoic acid.
Term info
Label
4-isothiocyanatobenzoic acid
Synonyms
- 4-isothiocyanatobenzoic acid
Subsets
3_STAR
charge
0
formula
C8H5NO2S
has obo namespace
chebi_ontology
has related synonym
4-carboxyphenyl isothiocyanate, 4-Icba
id
CHEBI:64464
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
mass
179.19600
monoisotopicmass
179.00410
smiles
OC(=O)c1ccc(cc1)N=C=S
Term relations
Subclass of:
- isothiocyanate
- has functional parent some benzoic acid
- is conjugate acid of some 4-isothiocyanatobenzoate
Related from: