2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
- Product Name2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
- CAS104617-49-4
- MFC7H11N3S
- MW169.25
- EINECS600-587-9
- MOL File104617-49-4.mol
Chemical Properties
| Melting point | >180oC (dec.) |
| Boiling point | 359.0±42.0 °C(Predicted) |
| Density | 1.313±0.06 g/cm3(Predicted) |
| vapor pressure | 0-0Pa at 20-50℃ |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| solubility | Methanol (Slightly) |
| pka | 9.18±0.20(Predicted) |
| form | Solid |
| color | White to Pale Brown |
| InChI | InChI=1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10) |
| InChIKey | DRRYZHHKWSHHFT-UHFFFAOYSA-N |
| SMILES | NC1SC2CC(N)CCC=2N=1 |
| LogP | -0.2 at 20℃ and pH9.24 |
| Surface tension | 71.2mN/m at 1g/L and 20℃ |
| CAS DataBase Reference | 104617-49-4(CAS DataBase Reference) |
