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| Other Sizes |
| Targets |
Tetrabutylammonium thiocyanate does not have a defined pharmacological target as it is a chemical reagent and phase-transfer catalyst. The compound is widely used as a phase transfer catalyst in organic synthesis, facilitating reactions between reactants in different phases. It also serves as an electrolyte in electrochemical devices. Its unique chemical properties make it valuable in various industrial processes including petrochemical refining and materials science.
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| ln Vitro |
Tetrabutylammonium thiocyanate is a biochemical reagent that can be utilized in studies pertaining to life sciences as an organic substance or biological material.
No specific in vitro pharmacological activity data are available for Tetrabutylammonium thiocyanate as it is a chemical reagent. In research settings, the compound is used as a phase transfer catalyst and reagent in organic synthesis. Its activity is assessed in terms of catalytic efficiency, phase transfer ability, and synthetic utility rather than direct biological activity. The compound is used in the synthesis of various organic compounds including pharmaceuticals and agrochemicals. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for Tetrabutylammonium thiocyanate as it is not a therapeutic agent. The compound is used exclusively as a chemical reagent and phase transfer catalyst. It is not administered to animals for pharmacological evaluation. Its applications are limited to organic synthesis, analytical chemistry, and electrochemical research laboratories.
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| Enzyme Assay |
For non-cellular assays, Tetrabutylammonium thiocyanate is characterized by standard analytical techniques including NMR, HPLC, and elemental analysis to confirm identity and purity. The compound can be evaluated as a phase transfer catalyst in organic reactions and as an electrolyte in electrochemical studies. Typical protocols involve dissolving the compound in appropriate solvents and testing its ability to facilitate reactions. Purity is typically ≥95% to ≥98%. Molecular weight: 300.55.
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| Cell Assay |
Tetrabutylammonium thiocyanate is not used in cell-based assays as it is a chemical reagent. The compound is intended for synthetic chemistry and analytical applications. If handled in a biological laboratory context, appropriate safety precautions should be taken due to the thiocyanate content. The compound should be stored in a cool, dry place protected from light and moisture.
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| Animal Protocol |
Tetrabutylammonium thiocyanate is not used in animal studies as it is a chemical reagent. The compound is handled in chemistry laboratories with appropriate personal protective equipment. Storage: keep in a cool, dry place protected from light and moisture. The compound should be stored in a tightly sealed container. Standard handling procedures for quaternary ammonium salts and thiocyanates should be followed.
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| ADME/Pharmacokinetics |
Tetrabutylammonium thiocyanate has a molecular weight of 300.55 and molecular formula C17H36N2S. Purity: typically ≥95% to ≥98%. Storage: keep in a cool, dry place protected from light and moisture. The compound is a solid at room temperature. Solubility: soluble in common organic solvents. The compound is stable under recommended storage conditions.
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| Toxicity/Toxicokinetics |
Tetrabutylammonium thiocyanate is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Thiocyanates should be handled with care. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported.
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| Additional Infomation |
Tetrabutylammonium thiocyanate (CAS 3674-54-2) is also known as tetrabutylammonium thiocyanate. It is widely used as a reagent in organic chemistry, particularly in the synthesis of various organic compounds including pharmaceuticals and agrochemicals. It serves as a phase-transfer catalyst in organic synthesis and as an electrolyte in electrochemical devices. Applications include ion chromatography and other analytical techniques. No clinical trials or therapeutic approvals exist.
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| Molecular Formula |
C17H36N2S
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|---|---|
| Molecular Weight |
300.55
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| Exact Mass |
300.259
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| CAS # |
3674-54-2
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| PubChem CID |
3014224
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| Appearance |
White to off-white solid powder
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| Melting Point |
120-123ºC
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| LogP |
5.017
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
20
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| Complexity |
147
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[S-]C#N.[N+](C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
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| InChi Key |
RSHBFZCIFFBTEW-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C16H36N.CHNS/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;3H/q+1;/p-1
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| Chemical Name |
tetrabutylazanium;thiocyanate
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3272 mL | 16.6362 mL | 33.2723 mL | |
| 5 mM | 0.6654 mL | 3.3272 mL | 6.6545 mL | |
| 10 mM | 0.3327 mL | 1.6636 mL | 3.3272 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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