Thiothiamine
- Product NameThiothiamine
- CAS299-35-4
- MFC12H16N4OS2
- MW296.41
- EINECS206-077-9
- MOL File299-35-4.mol
Chemical Properties
| Melting point | 238-239 °C |
| Boiling point | 509.6±60.0 °C(Predicted) |
| Density | 1.42±0.1 g/cm3(Predicted) |
| storage temp. | Refrigerator |
| solubility | DMSO (Slightly), Methanol (Very Slightly, Heated) |
| form | Solid |
| pka | 14.72±0.10(Predicted) |
| color | Pale Beige to Light Brown |
| Major Application | pharmaceutical (small molecule) |
| InChI | InChI=1S/C12H16N4OS2/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15) |
| InChIKey | SQOCQQPFEFRKBV-UHFFFAOYSA-N |
| SMILES | S1C(CCO)=C(C)N(CC2=CN=C(C)N=C2N)C1=S |
Safety Information
| WGK Germany | WGK 1 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 |
