1. Primary Information
| English name: | Thioflavin T |
| CAS No.: | 1326-12-1 |
| Molecular formula: | C17H19ClN2S |
| Molecular weight: | 318.9 g/mol |
| SMILES: | CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[Cl-] |
| Structural class: | |
| Other identifiers: |
2-(p-(dimethylamino)phenyl)-3,6-dimethylbenzothiazolium chloride thioflavin S thioflavin T thioflavine ThT (dye) |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5g | 实用级 | 200 | RT | in stock | - |
| Kehua Intelligence | 25g | 实用级 | 800 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;chloride
4.2 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
4.3 InChIKey
JADVWWSKYZXRGX-UHFFFAOYSA-M
4.4 Canonical SMILES
CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[Cl-]
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
