| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| Other Sizes |
| Targets |
The primary targets of Tetrahydrothiophen-3-one are olfactory receptors, as it functions as a flavor and fragrance compound. As an endogenous metabolite, it may interact with various metabolic pathways. Sulfur-containing heterocycles are known to have various biological activities, and this compound may have additional, as-yet-unidentified physiological functions. These characteristics make it relevant for research in flavor chemistry, food science, and metabolomics.
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| ln Vitro |
In vitro, Tetrahydrothiophen-3-one is studied for its organoleptic properties as a flavor and fragrance compound. It is evaluated in sensory assays to characterize its garlicky, meaty, green vegetable, and buttery odor profile. The compound is used in the synthesis of various sulfur-containing heterocycles. It is also studied as a component of the volatile flavor compounds found in cooked beef, coffee, and roasted nuts. These in vitro activities support its use in food science, flavor chemistry, and synthetic chemistry.
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| ln Vivo |
In vivo, Tetrahydrothiophen-3-one is an endogenous metabolite found naturally in the body. It is also present in various foods, including cooked beef, coffee, and roasted nuts. However, its specific in vivo functions and metabolic roles have not been extensively characterized. The compound is not used as a therapeutic agent and does not have defined pharmacological effects in vivo. Further research is needed to elucidate its biological significance.
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| Enzyme Assay |
In vitro enzyme/receptor binding (cell-free) assays for Tetrahydrothiophen-3-one are not typically conducted, as it is not a conventional enzyme inhibitor or receptor ligand. However, its metabolism can be studied using liver microsomes or recombinant enzymes. The compound is incubated with enzyme preparations at concentrations ranging from 0.1-1000 μM, and metabolite formation is monitored by GC-MS or LC-MS. All assays include appropriate controls and reference compounds.
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| Cell Assay |
In vitro cell-based assays for Tetrahydrothiophen-3-one are limited, as the compound is primarily studied as a flavor compound. Cytotoxicity studies may be performed to assess safety. Cells are treated with compound concentrations ranging from 0.1-1000 μM for 24-72 hours. Cell viability is assessed using MTT assays. All experiments include vehicle controls.
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| Animal Protocol |
In vivo animal studies with Tetrahydrothiophen-3-one are limited to safety and toxicology assessments. The compound is administered via oral gavage at various doses. Toxicity and irritation potential are evaluated. Each group consists of 6-10 animals with appropriate controls.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Tetrahydrothiophen-3-one have not been extensively characterized. As a small, lipophilic molecule, it is expected to have good oral bioavailability. Metabolism likely occurs through oxidation of the sulfur atom and the ring, followed by conjugation and renal excretion. Detailed PK parameters require further investigation.
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| Toxicity/Toxicokinetics |
Toxicological data for Tetrahydrothiophen-3-one are limited. No significant toxicity has been reported at typical exposure levels. As with all chemicals, appropriate safety precautions should be taken during handling, including use of personal protective equipment and adequate ventilation.
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| Additional Infomation |
Tetrahydrothiophen-3-one is a heterocyclic ketone and endogenous metabolite used as a flavor and fragrance compound. It is present in cooked beef, coffee, and roasted nuts. The compound is used in food science, flavor chemistry, and synthetic chemistry. It is not approved as a therapeutic agent and is intended for research and commercial applications as a flavor and fragrance ingredient.
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| Molecular Formula |
C₄H₆OS
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|---|---|
| Molecular Weight |
102.15
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| Exact Mass |
102.013
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| CAS # |
1003-04-9
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| PubChem CID |
61252
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
175.2±23.0 °C at 760 mmHg
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| Flash Point |
77.2±0.0 °C
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| Vapour Pressure |
1.2±0.3 mmHg at 25°C
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| Index of Refraction |
1.544
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| LogP |
-0.29
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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 |
0
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| Heavy Atom Count |
6
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| Complexity |
69.9
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1C([H])([H])C(C([H])([H])C1([H])[H])=O
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| InChi Key |
DSXFPRKPFJRPIB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
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| Chemical Name |
thiolan-3-one
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| Synonyms |
Tetrahydrothiophen3one; Tetrahydrothiophen 3 one
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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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
DMSO : ~100 mg/mL (~978.95 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (24.47 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 (24.47 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 (24.47 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 | 9.7895 mL | 48.9476 mL | 97.8953 mL | |
| 5 mM | 1.9579 mL | 9.7895 mL | 19.5791 mL | |
| 10 mM | 0.9790 mL | 4.8948 mL | 9.7895 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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