CHEBI:16017 - benzyl thiocyanate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benzyl thiocyanate
ChEBI ID CHEBI:16017
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3055, CHEBI:22747, CHEBI:13890
Supplier Information
Download Molfile XML SDF
Formula C8H7NS
Net Charge 0
Average Mass 149.21392
Monoisotopic Mass 149.030
InChI InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey ABNDFSOIUFLJAH-UHFFFAOYSA-N
SMILES N#CSCc1ccccc1
ChEBI Ontology
Outgoing benzyl thiocyanate (CHEBI:16017) is a thiocyanates (CHEBI:26955)
IUPAC Name
benzyl thiocyanate
Synonyms Sources
α-Thiocyanatotoluene NIST Chemistry WebBook
Benzyl thiocyanate KEGG COMPOUND
benzyl thiocyanate UniProt
Solvat 14 ChemIDplus
Thiocyanic acid benzyl ester NIST Chemistry WebBook
Thiocyanic acid, phenylmethyl ester NIST Chemistry WebBook
Tropeolin ChemIDplus
Manual Xref Database
C02660 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1859726 Beilstein Registry Number Beilstein
3012-37-1 CAS Registry Number KEGG COMPOUND
3012-37-1 CAS Registry Number NIST Chemistry WebBook
3012-37-1 CAS Registry Number ChemIDplus
Last Modified
13 November 2017