amoscanate (CHEBI:38944)

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ChEBI Name	amoscanate

ChEBI ID	CHEBI:38944

Definition	An isothiocyanate that is phenyl isothiocyanate in which the hydrogen at the para- position has been replaced by a 4-nitroanilinyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C13H9N3O2S

Net Charge

Average Mass

271.296

Monoisotopic Mass

271.04155

InChI

InChI=1S/C13H9N3O2S/c17-16(18)13-7-5-12(6-8-13)15-11-3-1-10(2-4-11)14-9-19/h1-8,15H

InChIKey

DKVNAGXPRSYHLB-UHFFFAOYSA-N

SMILES

C1=CC(=CC=C1NC=2C=CC(N=C=S)=CC2)[N+](=O)[O-]

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Application(s):	schistosomicide drug Drugs that used to treat infestations by flukes (trematodes) of the genus Schistosoma.

ChEBI Ontology
Outgoing	amoscanate (CHEBI:38944) has functional parent diphenylamine (CHEBI:4640) amoscanate (CHEBI:38944) has role schistosomicide drug (CHEBI:38941) amoscanate (CHEBI:38944) is a C-nitro compound (CHEBI:35716) amoscanate (CHEBI:38944) is a isothiocyanate (CHEBI:52221) amoscanate (CHEBI:38944) is a secondary amino compound (CHEBI:50995)

IUPAC Name

4-isothiocyanato-N-(4-nitrophenyl)aniline

Synonyms	Sources
4-(4-Nitroanilino)phenylisothiocyanat	ChemIDplus
4-isothiocyanato-4'-nitrodiphenylamine	ChemIDplus
4-isothiocyanato-N-(4-nitrophenyl)benzenamine	ChemIDplus
C 9333 GO	ChemIDplus
CCRIS 4111	ChemIDplus
CGP 4540	ChemIDplus
Ciba 9333 GO	ChemIDplus
GO 9333	ChemIDplus
isothiocyanic acid, p-(p-nitroanilino)phenyl ester	ChemIDplus
nithiocyamine	ChemIDplus
p-(p-nitroanilino)phenyl isothiocyanate	ChemIDplus

Last Modified

13 March 2018