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CHEBI:52806 - C3-thiacarbocyanine cation

ChEBI IDCHEBI:52806
ChEBI NameC3-thiacarbocyanine cation
Stars
DefinitionThe cationic form of a C3 cyanine dye having 3-ethyl-1,3-benzothiazol-2(3H)-yl units at each end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC21H21N2S2
Net Charge+1
Average Mass365.547
Monoisotopic Mass365.11407
SMILES[H]C(=Cc1sc2ccccc2[n+]1CC)C([H])=C1Sc2ccccc2N1CC
InChIInChI=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
InChIKeyJGLWGLKNDHZFAP-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
C3-thiacarbocyanine (CHEBI:51895) has part C3-thiacarbocyanine cation (CHEBI:52806)
IUPAC Name 
3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium
Synonyms  Source
DithiazanineChemIDplus
DithiazaninumChemIDplus
Registry NumbersSources
CAS:7187-55-5ChemIDplus