Physicochemical Properties
| Molecular Formula | C6H2BR2N2S |
| Molecular Weight | 293.97 |
| Exact Mass | 291.83 |
| CAS # | 15155-41-6 |
| PubChem CID | 626361 |
| Appearance | Light yellow to brown solid powder |
| Density | 2.2±0.1 g/cm3 |
| Boiling Point | 326.6±22.0 °C at 760 mmHg |
| Melting Point | 186-190ºC |
| Flash Point | 151.3±22.3 °C |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.756 |
| LogP | 3.55 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 11 |
| Complexity | 142 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C1=C(C2=NSN=C2C(=C1)Br)Br |
| InChi Key | FEOWHLLJXAECMU-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H |
| Chemical Name | 4,7-dibromo-2,1,3-benzothiadiazole |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
Solubility Data
| Solubility (In Vitro) | DMSO: 25 mg/mL (85.04 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.50 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.4017 mL | 17.0085 mL | 34.0171 mL | |
| 5 mM | 0.6803 mL | 3.4017 mL | 6.8034 mL | |
| 10 mM | 0.3402 mL | 1.7009 mL | 3.4017 mL |