CHEBI:76034 - thioflavin T cation

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ChEBI Name thioflavin T cation
ChEBI ID CHEBI:76034
Definition A benzothiazolium ion obtained by methylation of the thiazole nitrogen of 2-[4-(dimethylamino)phenyl]-6-methyl-1,3-benzothiazole; the cationic component of thioflavin T.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H19N2S
Net Charge +1
Average Mass 283.41100
Monoisotopic Mass 283.12635
InChI InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1
InChIKey FXEKRIDRIFBJOR-UHFFFAOYSA-N
SMILES CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C
ChEBI Ontology
Outgoing thioflavin T cation (CHEBI:76034) is a benzothiazolium ion (CHEBI:52838)
Incoming thioflavine T (CHEBI:76023) has part thioflavin T cation (CHEBI:76034)
IUPAC Name
2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium
Synonym Source
thioflavin T(1+) ChEBI
Registry Number Type Source
3910379 Reaxys Registry Number Reaxys
Last Modified
23 October 2013