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CHEBI:52806 - C3-thiacarbocyanine cation
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ChEBI Name
C3-thiacarbocyanine cation
ChEBI ID
CHEBI:52806
Definition
The cationic form of a C3 cyanine dye having 3-ethyl-1,3-benzothiazol-2(3
H
)-yl units at each end.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C21H21N2S2
Net Charge
+1
Average Mass
365.53500
Monoisotopic Mass
365.11407
InChI
InChI=1S/C21H21N2S2/c1-
3-
22-
16-
10-
5-
7-
12-
18(16)
24-
20(22)
14-
9-
15-
21-
23(4-
2)
17-
11-
6-
8-
13-
19(17)
25-
21/h5-
15H,3-
4H2,1-
2H3/q+1
InChIKey
JGLWGLKNDHZFAP-UHFFFAOYSA-N
SMILES
[H]C(=Cc1sc2ccccc2[n+]1CC)C([H])=C1Sc2ccccc2N1CC
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
dye
(via
cyanine dye
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
C3-thiacarbocyanine cation (
CHEBI:52806
)
has role
fluorochrome (
CHEBI:51217
)
C3-thiacarbocyanine cation (
CHEBI:52806
)
is a
benzothiazoles (
CHEBI:37947
)
C3-thiacarbocyanine cation (
CHEBI:52806
)
is a
benzothiazolium ion (
CHEBI:52838
)
C3-thiacarbocyanine cation (
CHEBI:52806
)
is a
cyanine dye (
CHEBI:37960
)
Incoming
C3-thiacarbocyanine (
CHEBI:51895
)
has part
C3-thiacarbocyanine cation (
CHEBI:52806
)
IUPAC Name
3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3
H
)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium
Synonyms
Sources
Dithiazanine
ChemIDplus
Dithiazaninum
ChemIDplus
Registry Number
Type
Source
7187-55-5
CAS Registry Number
ChemIDplus
Last Modified
28 July 2009