Chemical Component Summary

Name2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium
SynonymsThioflavin T
Identifiers4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethyl-aniline
FormulaC17 H19 N2 S
Molecular Weight283.411
TypeNON-POLYMER
Isomeric SMILESCc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C
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

Chemical Details

Formal Charge1
Atom Count39
Chiral Atom Count0
Bond Count41
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL57267
PubChem 16954
ChEMBL CHEMBL57267
ChEBI CHEBI:76034
CCDC/CSD FUJBUI
COD 7105219