CHEBI:52122 - malachite green isothiocyanate

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ChEBI Name malachite green isothiocyanate
ChEBI ID CHEBI:52122
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H24ClN3O4S
Net Charge 0
Average Mass 485.98300
Monoisotopic Mass 485.11761
InChI InChI=1S/C24H24N3S.ClHO4/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;2-1(3,4)5/h5-16H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey DDKWQLRWSLILIV-UHFFFAOYSA-M
SMILES [O-]Cl(=O)(=O)=O.CN(C)c1ccc(cc1)C(c1ccc(cc1)N=C=S)=C1C=CC(C=C1)=[N+](C)C
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
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ChEBI Ontology
Outgoing malachite green isothiocyanate (CHEBI:52122) has part malachite green isothiocyanate cation (CHEBI:52870)
malachite green isothiocyanate (CHEBI:52122) has role fluorochrome (CHEBI:51217)
malachite green isothiocyanate (CHEBI:52122) is a organic perchlorate salt (CHEBI:52165)
IUPAC Name
N-(4-{[4-(dimethylamino)phenyl](4-isothiocyanatophenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium perchlorate
Registry Number Type Source
9242877 Beilstein Registry Number Beilstein
Last Modified
29 July 2009