CHEBI:17484 - benzyl isothiocyanate

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ChEBI Name benzyl isothiocyanate ChEBI ID CHEBI:17484 Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:3054, CHEBI:13889, CHEBI:22745 Supplier Information ChemicalBook:CB0128551, eMolecules:480663, eMolecules:491267 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H7NS Net Charge 0 Average Mass 149.21392 Monoisotopic Mass 149.02992 InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N SMILES S=C=NCc1ccccc1 Roles Classification Biological Role(s): antibacterial drug A drug used to treat or prevent bacterial infections. Application(s): antibacterial drug A drug used to treat or prevent bacterial infections. View more via ChEBI Ontology ChEBI Ontology Outgoing benzyl isothiocyanate (CHEBI:17484) has role antibacterial drug (CHEBI:36047) benzyl isothiocyanate (CHEBI:17484) is a benzenes (CHEBI:22712) benzyl isothiocyanate (CHEBI:17484) is a isothiocyanate (CHEBI:52221) IUPAC Name (isothiocyanatomethyl)benzene Synonyms Sources α-isothiocyanatotoluene NIST Chemistry WebBook Benzyl isothiocyanate KEGG COMPOUND benzyl isothiocyanate UniProt Benzylsenföl NIST Chemistry WebBook Isothiocyanic acid, benzyl ester NIST Chemistry WebBook Manual Xrefs Databases C00007675 KNApSAcK C03098 KEGG COMPOUND View more database links Registry Numbers Types Sources 386135 Beilstein Registry Number Beilstein 622-78-6 CAS Registry Number KEGG COMPOUND 622-78-6 CAS Registry Number ChemIDplus 622-78-6 CAS Registry Number NIST Chemistry WebBook Last Modified 12 November 2021