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CHEBI:76034 - thioflavin T cation

ChEBI IDCHEBI:76034
ChEBI Namethioflavin T cation
Stars
DefinitionA 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.
Last Modified23 October 2013
SubmitterSteve
DownloadsMolfile
FormulaC17H19N2S
Net Charge+1
Average Mass283.420
Monoisotopic Mass283.12635
SMILESCc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C
InChIInChI=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
InChIKeyFXEKRIDRIFBJOR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
thioflavin T cation (CHEBI:76034) is a benzothiazolium ion (CHEBI:52838)
Incoming Relation(s)
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 NumbersSources
Reaxys:3910379Reaxys