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CHEBI:52926 - thionine cation

ChEBI IDCHEBI:52926
ChEBI Namethionine cation
Stars
DefinitionThe cationic form of 3,7-diaminophenothiazine.
Last Modified4 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC12H10N3S
Net Charge+1
Average Mass228.300
Monoisotopic Mass228.05899
SMILESNc1ccc2nc3ccc(N)cc3[s+]c2c1
InChIInChI=1S/C12H10N3S/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H,13-14H2/q+1
InChIKeyCBBMGBGDIPJEMI-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
thionine cation (CHEBI:52926) has role fluorochrome (CHEBI:51217)
thionine cation (CHEBI:52926) is a organic cation (CHEBI:25697)
thionine cation (CHEBI:52926) is a organic heterotricyclic compound (CHEBI:26979)
Incoming Relation(s)
thionine (CHEBI:52295) has part thionine cation (CHEBI:52926)
thionine acetate (CHEBI:52294) has part thionine cation (CHEBI:52926)
IUPAC Name 
3,7-diaminophenothiazin-5-ium
Synonym  Source
thionine(1+)ChEBI
Registry NumbersSources
Reaxys:3551799Reaxys