CHEBI:52870 - malachite green isothiocyanate cation

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ChEBI Name malachite green isothiocyanate cation
ChEBI ID CHEBI:52870
Definition The iminium cation of malachite green isothiocyanate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H24N3S
Net Charge +1
Average Mass 386.53200
Monoisotopic Mass 386.16855
InChI InChI=1S/C24H24N3S/c1-26(2)22-13-7-19(8-14-22)24(18-5-11-21(12-6-18)25-17-28)20-9-15-23(16-10-20)27(3)4/h5-16H,1-4H3/q+1
InChIKey WAGQVEJKLAIRPI-UHFFFAOYSA-N
SMILES CN(C)c1ccc(cc1)C(c1ccc(cc1)N=C=S)=C1C=CC(C=C1)=[N+](C)C
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): fluorochrome
A fluorescent dye used to stain biological specimens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing malachite green isothiocyanate cation (CHEBI:52870) has role fluorochrome (CHEBI:51217)
malachite green isothiocyanate cation (CHEBI:52870) is a iminium ion (CHEBI:35286)
malachite green isothiocyanate cation (CHEBI:52870) is a tertiary amine (CHEBI:32876)
Incoming malachite green isothiocyanate (CHEBI:52122) has part malachite green isothiocyanate cation (CHEBI:52870)
IUPAC Name
N-(4-{[4-(dimethylamino)phenyl](4-isothiocyanatophenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium
Synonym Source
malachite green isothiocyanate(1+) ChEBI
Registry Number Type Source
6938342 Beilstein Registry Number Beilstein
Last Modified
31 July 2009