| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Not applicable (flavoring agent and chemical intermediate). 2-Methylthiophene does not have a defined pharmacological target. It is used as a flavoring agent and chemical intermediate rather than as a pharmacologically active compound.
|
|---|---|
| ln Vitro |
2-Methylthiophene is primarily used as a flavoring agent and chemical intermediate and does not exhibit direct pharmacological activity in standard in vitro assays.
|
| ln Vivo |
In vivo studies of 2-methylthiophene are not applicable as the compound is a flavoring agent and chemical intermediate rather than a pharmacologically active compound.
|
| Enzyme Assay |
Non-cell-based assays for 2-methylthiophene are analytical in nature. Standard methods including GC, HPLC, NMR, and mass spectrometry are used for identification, quantification, and purity assessment. Physicochemical properties such as melting point, boiling point, and density are determined using standard protocols.
|
| Cell Assay |
Cell-based assays for 2-methylthiophene are not commonly performed, as the compound is a flavoring agent and chemical intermediate rather than a pharmacologically active compound.
|
| Animal Protocol |
In vivo animal studies for 2-methylthiophene are not applicable as the compound is a flavoring agent and chemical intermediate.
|
| ADME/Pharmacokinetics |
2-Methylthiophene has a molecular formula of C₅H₆S and a molecular weight of 98.17 g/mol. It is a clear, colorless to slightly yellow liquid with a melting point of -63°C, a boiling point of 113°C, and a density of 1.014 g/mL. It is used as a flavoring agent and in organic synthesis.
|
| Toxicity/Toxicokinetics |
Toxicity Data
LC50 (mice) = 11,500 mg/m³/2 hours 2-Methylthiophene may cause irritation to the skin, eyes, and respiratory tract. Standard laboratory safety practices should be followed when handling this compound. |
| References | |
| Additional Infomation |
2-Methylthiophene is a type of thiophene compound characterized by the substitution of a methyl group for a hydrogen atom at the 2-position. It is a flavoring agent and a product of the Maillard reaction. Belonging to the thiophene class of compounds, it is a volatile organic compound functionally similar to thiophene. 2-Methylthiophene has been reported to exist in guava (Xanthopappus subacaulis), guava (Psidium guajava), and tomato (Solanum lycopersicum), and relevant data exist. 2-Methylthiophene is a metabolite of or produced by the yeast Saccharomyces cerevisiae.
2-Methylthiophene is a heterocyclic compound used as a flavoring agent that naturally occurs in various foods. It is also used as a chemical intermediate in organic synthesis. The compound is for research use only. |
| Molecular Formula |
C5H6S
|
|---|---|
| Molecular Weight |
98.16
|
| Exact Mass |
98.019
|
| CAS # |
554-14-3
|
| PubChem CID |
11126
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
107.9±3.0 °C at 760 mmHg
|
| Melting Point |
-63.4 °C
|
| Flash Point |
7.2±0.0 °C
|
| Vapour Pressure |
31.0±0.2 mmHg at 25°C
|
| Index of Refraction |
1.531
|
| LogP |
2.36
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
6
|
| Complexity |
43.2
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1=CC=CS1
|
| InChi Key |
XQQBUAPQHNYYRS-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
|
| Chemical Name |
2-methylthiophene
|
| Synonyms |
2-Methylthiophene
|
| 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) |
DMSO: 100 mg/mL (1018.74 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (25.47 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 (25.47 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (25.47 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 10.1874 mL | 50.9372 mL | 101.8745 mL | |
| 5 mM | 2.0375 mL | 10.1874 mL | 20.3749 mL | |
| 10 mM | 1.0187 mL | 5.0937 mL | 10.1874 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.
Products are for research use only; We do not sell to patients
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