CHEBI:51895 - C3-thiacarbocyanine

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ChEBI Name C3-thiacarbocyanine ChEBI ID CHEBI:51895 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide Synonym Source C3-Thiacyanine Dye ChEBI Last Modified 17 October 2009