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(3H)-yl units at each end. 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 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(3H)-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