Physicochemical Properties
| Molecular Formula | C7H8CLN5O2S |
| Molecular Weight | 261.69 |
| Exact Mass | 261.008 |
| CAS # | 105843-36-5 |
| PubChem CID | 184601 |
| Appearance | White to off-white solid powder |
| Density | 1.8±0.1 g/cm3 |
| Boiling Point | 461.7±55.0 °C at 760 mmHg |
| Melting Point | 146-147 ºC |
| Flash Point | 233.0±31.5 °C |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.800 |
| LogP | -0.84 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 16 |
| Complexity | 310 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=[N+](NC1=NCCN1CC1=CN=C(Cl)S1)[O-] |
| InChi Key | OWRSHPAYDYCHSJ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C7H8ClN5O2S/c8-6-10-3-5(16-6)4-12-2-1-9-7(12)11-13(14)15/h3H,1-2,4H2,(H,9,11) |
| Chemical Name | N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide |
| 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]. Tao Y, et, al. Uptake, Translocation, and Biotransformation of Neonicotinoid Imidaclothiz in Hydroponic Vegetables: Implications for Potential Intake Risks. J Agric Food Chem. 2021 Apr 14;69(14):4064-4073. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (382.13 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.55 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 (9.55 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 | 3.8213 mL | 19.1066 mL | 38.2132 mL | |
| 5 mM | 0.7643 mL | 3.8213 mL | 7.6426 mL | |
| 10 mM | 0.3821 mL | 1.9107 mL | 3.8213 mL |