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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:51895 - C3-thiacarbocyanine
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ChEBI Ontology
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ChEBI Name
C3-thiacarbocyanine
ChEBI ID
CHEBI:51895
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H21IN2S2
Net Charge
0
Average Mass
492.43900
Monoisotopic Mass
492.01909
InChI
InChI=1S/C21H21N2S2.HI/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;1H/q+1;/p-
1
InChIKey
VZBILKJHDPEENF-UHFFFAOYSA-M
SMILES
[I-].[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 (
CHEBI:51895
)
has part
C3-thiacarbocyanine cation (
CHEBI:52806
)
C3-thiacarbocyanine (
CHEBI:51895
)
has role
fluorochrome (
CHEBI:51217
)
C3-thiacarbocyanine (
CHEBI:51895
)
is a
benzothiazoles (
CHEBI:37947
)
C3-thiacarbocyanine (
CHEBI:51895
)
is a
cyanine dye (
CHEBI:37960
)
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 iodide
Synonym
Source
C3-Thiacyanine Dye
ChEBI
Last Modified
17 October 2009