Physicochemical Properties
| Molecular Formula | C13H12N4S |
| Molecular Weight | 256.33 |
| Exact Mass | 256.078 |
| CAS # | 60-10-6 |
| PubChem CID | 657262 |
| Appearance | Brown to black solid powder |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 376.1±25.0 °C at 760 mmHg |
| Melting Point | 168°C (dec.) |
| Flash Point | 181.2±23.2 °C |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.644 |
| LogP | 4.01 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 18 |
| Complexity | 281 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | UOFGSWVZMUXXIY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H12N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18) |
| Chemical Name | 1-anilino-3-phenyliminothiourea |
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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
| Additional Infomation |
Dithizone is a member of phenylhydrazines. Chelating agent used for heavy metal poisoning and assay. It causes diabetes. |
Solubility Data
| Solubility (In Vitro) | DMSO: 50 mg/mL (195.06 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.75 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.75 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.9012 mL | 19.5061 mL | 39.0122 mL | |
| 5 mM | 0.7802 mL | 3.9012 mL | 7.8024 mL | |
| 10 mM | 0.3901 mL | 1.9506 mL | 3.9012 mL |