Physicochemical Properties
| Molecular Formula | C3H3NOS2 |
| Molecular Weight | 133.19 |
| CAS # | 141-84-4 |
| PubChem CID | 1201546 |
| Appearance | White to yellow solid powder |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 218.2ºC at 760mmHg |
| Melting Point | 165-169 °C(lit.) |
| Flash Point | 85.7ºC |
| Vapour Pressure | 0.128mmHg at 25°C |
| Index of Refraction | 1.712 |
| LogP | 0.06 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Heavy Atom Count | 7 |
| Complexity | 122 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S1C(N([H])C(C1([H])[H])=O)=S |
| Synonyms | Rhodanine |
| 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
| References |
[1]. Biochemical reagentsM//Methods of Enzymatic Analysis. Academic Press, 1965: 967-1037. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~750.81 mM; with ultrasonication) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (37.54 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 50.0 mg/mL clear DMSO stock solution and add it to 900 μL of 20% SBE-β-CD saline solution and mix well. 2 g SBE-β-CD (sulfobutyl ether β-cyclodextrin) powder is diluted to 10 mL of saline and completely dissolved until clear and transparent.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.5081 mL | 37.5404 mL | 75.0807 mL | |
| 5 mM | 1.5016 mL | 7.5081 mL | 15.0161 mL | |
| 10 mM | 0.7508 mL | 3.7540 mL | 7.5081 mL |