| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Dibutyl sulfide does not have a defined pharmacological target as it is a chemical reagent. The compound is a useful research chemical. Its primary function is as a solvent and reagent in organic synthesis. It is used as a certified reference material for analytical chemistry.
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|---|---|
| ln Vitro |
No specific in vitro pharmacological activity data are available for Dibutyl sulfide as it is a chemical reagent. In research settings, the compound is used as a solvent and reagent in organic synthesis. Its activity is assessed in terms of chemical reactivity and synthetic utility rather than direct biological activity.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for Dibutyl sulfide as a therapeutic agent. The compound is used exclusively as a chemical reagent. It is not administered to animals for pharmacological evaluation. Its applications are limited to organic synthesis and analytical chemistry.
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| Enzyme Assay |
For non-cellular assays, Dibutyl sulfide is characterized by standard analytical techniques including GC, HPLC, NMR, and mass spectrometry to confirm identity and purity. Purity: ≥98.0%. The compound has a boiling point of 188-189°C, density of 0.838 g/mL at 25°C, and flash point of 77°C. Storage: room temperature in a cool and dry place.
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| Cell Assay |
For in vitro cell-based studies, Dibutyl sulfide is not typically used as a direct test compound. It is a chemical reagent for synthetic chemistry and analytical applications. If handled in a biological laboratory context, appropriate safety precautions should be taken. The compound is a liquid at room temperature.
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| Animal Protocol |
For in vivo animal studies, Dibutyl sulfide is not typically administered as a test compound. It is used as a chemical reagent and solvent. If used in toxicological studies, it would be administered via appropriate routes with suitable formulations. Standard animal welfare guidelines should be followed.
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| ADME/Pharmacokinetics |
Dibutyl sulfide has a molecular weight of 146.29 and molecular formula C₈H₁₈S. It has a boiling point of 188-189°C, density of 0.838 g/mL at 25°C, flash point of 77°C, and melting point of -76°C. Purity: ≥98.0%. Storage: room temperature in a cool and dry place.
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| Toxicity/Toxicokinetics |
Dibutyl sulfide is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. The compound is a flammable liquid and should be kept away from sources of ignition. 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 |
Dibutyl sulfide is an aliphatic sulfide.
Dibutyl sulfide (CAS 544-40-1) is also known as butyl sulfide. It is a useful research chemical and certified reference material. No clinical trials or therapeutic approvals exist. |
| Molecular Formula |
C8H18S
|
|---|---|
| Molecular Weight |
146.29
|
| Exact Mass |
146.112
|
| CAS # |
544-40-1
|
| PubChem CID |
11002
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
0.8±0.1 g/cm3
|
| Boiling Point |
188.7±8.0 °C at 760 mmHg
|
| Melting Point |
-80 °C
|
| Flash Point |
76.7±0.0 °C
|
| Vapour Pressure |
0.8±0.3 mmHg at 25°C
|
| Index of Refraction |
1.452
|
| LogP |
4.07
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
9
|
| Complexity |
37.8
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCCCSCCCC
|
| InChi Key |
HTIRHQRTDBPHNZ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
|
| Chemical Name |
1-butylsulfanylbutane
|
| 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)
|
| 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 | 6.8357 mL | 34.1787 mL | 68.3574 mL | |
| 5 mM | 1.3671 mL | 6.8357 mL | 13.6715 mL | |
| 10 mM | 0.6836 mL | 3.4179 mL | 6.8357 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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