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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:17484 - benzyl isothiocyanate
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ChEBI Ontology
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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
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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