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ChEBI
> Main
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.
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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 (Br
o
nsted 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