| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
Not applicable. Propan-2-yl 2-sulfanylacetate is a synthetic intermediate and has no specific biological target. It is a thiol compound that can serve as a substrate for esterases or as a ligand for metal ions. In peptide synthesis, it is used to introduce a masked thiol group that can be deprotected later. It does not bind to any specific receptor or enzyme for therapeutic benefit. Its utility is in synthetic chemistry, not pharmacology.
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| ln Vitro |
In vitro, this compound is not used for biological activity studies. It is a chemical reagent. In an enzyme assay, it can be used as a substrate for esterases or lipases. For example, it can be incubated with porcine liver esterase (1 U/mL) in PBS (pH 7.4) at 37degC for 30 min, and the release of isopropanol can be quantified by GC. It is not used in cell-based assays for drug discovery. It is a synthetic building block.
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| ln Vivo |
In vivo, this compound is not a drug and is not administered for therapeutic purposes. It may be used in a limited capacity to study the metabolism of thiol esters. It is not used in efficacy models. It is a chemical reagent.
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| Enzyme Assay |
General protocol for in vitro analytical use: For GC analysis, prepare a 1 mg/mL stock solution in ethyl acetate. Prepare calibration standards at 10, 50, 100, 250, 500 ug/mL. Use a DB-5 column (30 m × 0.25 mm) with FID detection. Oven program: 50degC for 1 min, ramp 10degC/min to 200degC. The compound elutes at ~6 min. For HPLC, use a C18 column with mobile phase acetonitrile:water (50:50) and UV detection at 210 nm. Store the compound at 4degC, under inert gas (nitrogen) to prevent oxidation of the thiol.
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| Cell Assay |
General protocol for in vitro cell-based experiments: Not applicable for biological activity. For a stability test, incubate the compound in cell culture medium (DMEM + 10% FBS) at 37degC for 24 h. Analyze by HPLC to measure degradation. The compound is likely to be hydrolyzed by esterases in the serum.
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| Animal Protocol |
General protocol for in vivo animal experiments: Not applicable. The compound is not used in animal models for efficacy.
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| ADME/Pharmacokinetics |
General pharmacokinetic properties: This compound (MW 134.20) is a small, volatile liquid. It is not a drug, so no PK data are available. It is soluble in organic solvents. For storage, it should be kept at 4degC, in a sealed container under inert atmosphere (nitrogen or argon) to prevent dimerization. It is stable for up to 1 year under these conditions.
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| Toxicity/Toxicokinetics |
General toxicity profile: This compound is a thiol and may have a strong odor. It is a skin and eye irritant. It is classified as a flammable liquid. Standard safety precautions (gloves, lab coat, safety glasses, fume hood) should be used. Avoid inhalation of vapors. The LD50 in rats is >2000 mg/kg. For research use only.
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| References | |
| Additional Infomation |
Propan-2-yl 2-sulfanylacetate is also known as Isopropyl 2-mercaptoacetate or Isopropyl thioglycolate. It is used as a chemical intermediate in the synthesis of various active pharmaceutical ingredients and agrochemicals. Its molecular formula is C5H10O2S. The product is for research and synthetic use only, not for human consumption.
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| Molecular Formula |
C5H10O2S
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|---|---|
| Molecular Weight |
134.20
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| Exact Mass |
134.04
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| CAS # |
7383-61-1
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| PubChem CID |
81864
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| Appearance |
Typically exists as solids at room temperature
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
8
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| Complexity |
80.5
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)OC(=O)CS
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| InChi Key |
KLHDJBCAYIXOTA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C5H10O2S/c1-4(2)7-5(6)3-8/h4,8H,3H2,1-2H3
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| Chemical Name |
propan-2-yl 2-sulfanylacetate
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| Synonyms |
Isopropyl thioglycolate
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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 | 7.4516 mL | 37.2578 mL | 74.5156 mL | |
| 5 mM | 1.4903 mL | 7.4516 mL | 14.9031 mL | |
| 10 mM | 0.7452 mL | 3.7258 mL | 7.4516 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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