CHEBI:85103 - phenyl isothiocyanate

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ChEBI Name phenyl isothiocyanate
Definition An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H5NS
Net Charge 0
Average Mass 135.18600
Monoisotopic Mass 135.01427
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
SMILES S=C=Nc1ccccc1
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
Application(s): reagent
A substance used in a chemical reaction to detect, measure, examine, or produce other substances.
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ChEBI Ontology
Outgoing phenyl isothiocyanate (CHEBI:85103) has role allergen (CHEBI:50904)
phenyl isothiocyanate (CHEBI:85103) has role reagent (CHEBI:33893)
phenyl isothiocyanate (CHEBI:85103) is a isothiocyanate (CHEBI:52221)
Synonyms Sources
Benzene-1-isothiocyanate ChemIDplus
Isothiocyanic acid phenyl ester ChemIDplus
Phenyl mustard oil ChemIDplus
Phenylsenfoel ChemIDplus
Manual Xref Database
Phenyl_isothiocyanate Wikipedia
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Registry Numbers Types Sources
103-72-0 CAS Registry Number ChemIDplus
103-72-0 CAS Registry Number NIST Chemistry WebBook
471392 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22974327 PubMed citation Europe PMC
24628280 PubMed citation Europe PMC
24852536 PubMed citation Europe PMC
25532938 PubMed citation Europe PMC
28295200 PubMed citation Europe PMC
Last Modified
13 September 2017