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| Other Sizes |
| Targets |
2-Acetylthiophene does not have a well-defined pharmacological target. It is primarily used as a biochemical reagent and fragrance agent. Its biological activities are limited to its use as a building block in pharmaceutical and agrochemical synthesis. The compound may form complexes with metal ions for coordination chemistry applications.
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| ln Vitro |
2-thiophene is an agent with aromatic properties. possesses an oniony and sulfurous flavor.
In vitro, 2-acetylthiophene is used as a biochemical reagent and fragrance agent. It is used in the synthesis of ruthenium(III) complexes with bidentate N, O/S donor ligands for catalytic and biological studies. Its in vitro activities are primarily related to its chemical reactivity rather than direct pharmacological effects. The compound is used in various life science research applications. |
| ln Vivo |
In vivo data for 2-acetylthiophene are limited. The compound is primarily used as a biochemical reagent and fragrance agent. Its in vivo effects have not been extensively studied. The compound is not used as a therapeutic agent.
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| Enzyme Assay |
General protocols for the use of 2-acetylthiophene as a biochemical reagent involve dissolving the compound in appropriate solvents (e.g., ethanol, DMSO) and adding it to reaction mixtures. The compound is used as a substrate or reagent in chemical synthesis. For coordination chemistry studies, 2-acetylthiophene is reacted with metal salts (e.g., ruthenium chloride) in appropriate solvents to form metal complexes. The complexes are characterized by NMR, IR, UV-Vis spectroscopy, and X-ray crystallography. The biological activities of the complexes are evaluated in various assays.
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| Cell Assay |
General protocols for cell-based studies using 2-acetylthiophene are limited. The compound is primarily used as a chemical reagent rather than a direct pharmacological agent. For studies involving metal complexes synthesized from 2-acetylthiophene, the complexes are dissolved in DMSO and diluted in culture medium. Cells are treated with the complexes at various concentrations for 24-72 hours. Cell viability is assessed by MTT or CCK-8 assays. The IC50 values are calculated.
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| Animal Protocol |
General protocols for in vivo studies of 2-acetylthiophene are limited. The compound is primarily used as a research reagent. For toxicological or pharmacological studies, the compound may be administered to rodents, but comprehensive in vivo studies have not been reported.
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| ADME/Pharmacokinetics |
2-Acetylthiophene has a molecular weight of 126.18 g/mol (C6H6OS). It is a biochemical reagent and fragrance agent. Its pharmacokinetic properties, including absorption, distribution, metabolism, and excretion, have not been characterized. The compound is typically handled as a liquid with a strong odor.
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| Toxicity/Toxicokinetics |
Toxicity Data
LC50 (Rat) = 730 mg/m³/4 hours The toxicity profile of 2-acetylthiophene has not been fully characterized. As a chemical reagent, it may cause skin and eye irritation upon contact. Inhalation of vapors should be avoided. The compound should be used in a well-ventilated fume hood with appropriate personal protective equipment. Comprehensive toxicological studies are limited. |
| Additional Infomation |
2-Acetylthiophene is an aromatic ketone. It has been reported that 2-acetylthiophene is present in tobacco (Nicotiana tabacum) and Arabica coffee (Coffea arabica), and relevant data are available. 2-Acetylthiophene is a metabolite found or produced by the yeast Saccharomyces cerevisiae.
2-Acetylthiophene (CAS 88-15-3) is a biochemical reagent and fragrance agent. It is used as a building block in the development of pharmaceuticals and agrochemicals and in the synthesis of metal complexes for catalytic and biological studies. It has no approved therapeutic indications and is used primarily as a research chemical. |
| Molecular Formula |
C6H6OS
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|---|---|
| Molecular Weight |
126.17
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| Exact Mass |
126.013
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| CAS # |
88-15-3
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| PubChem CID |
6920
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| Appearance |
Colorless to light yellow liquid（Density：1.1709 g/cm³）
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
212.6±13.0 °C at 760 mmHg
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| Melting Point |
10-11 °C(lit.)
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| Flash Point |
91.1±0.0 °C
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| Vapour Pressure |
0.2±0.4 mmHg at 25°C
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| Index of Refraction |
1.540
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| LogP |
1.25
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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 |
1
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| Heavy Atom Count |
8
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| Complexity |
101
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C)C1=CC=CS1
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| InChi Key |
WYJOVVXUZNRJQY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
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| Chemical Name |
Ethanone, 1-(2-thienyl)-
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| Synonyms |
2-Acetylthiophene 2 Acetylthiophene 2Acetylthiophene 1-(2-Thienyl)ethanone 2-Acetothienone 2-Acetothiophene Acetylthiophene
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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 | 7.9258 mL | 39.6291 mL | 79.2581 mL | |
| 5 mM | 1.5852 mL | 7.9258 mL | 15.8516 mL | |
| 10 mM | 0.7926 mL | 3.9629 mL | 7.9258 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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