Thioflavin T | SBID = 1896 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C17H19ClN2S
M / g/mol: 318.86416
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest, dye, charged
  • Name: Thioflavin T
  • Preferred Abbreviation: Thioflavin T
  • IUPAC Name: 2-[p-(Dimethylamino)phenyl]-3,6-dimethylbenzothiazolium chloride (7CI)
  • CAS: 2390-54-7
  • CID: -807
  • InChiKey: JADVWWSKYZXRGX-UHFFFAOYSA-M
  • InChi: InChI=1S/C17H19N2S.ClH/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;1H/q+1;/p-1
  • CanoSmiles: Cc1ccc2c(c1)sc([n+]2C)c1ccc(cc1)N(C)C.[Cl-]
  • IsoSmiles: CN(C)C(C=C1)=CC=C1C2=[N+](C)C3=CC=C(C)C=C3S2.[Cl-]