| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
3-Mercapto-1,2,4-triazole does not have a defined pharmacological target as it is a biochemical reagent and building block. The compound serves as a versatile ligand in coordination chemistry, a building block for pharmaceutical and agrochemical derivatives, and a functional component in corrosion inhibition and surface-enhanced Raman scattering (SERS)-based sensing. It exhibits antioxidant properties and has been studied for its potential biological activities, including antimicrobial and antifungal effects.
|
|---|---|
| ln Vitro |
In a study, 3-Mercapto-1,2,4-triazole was utilized to improve the surface of a Raman scattering-based probe, which allowed for the quick and precise identification of DNA markers.
In vitro studies have shown that 3-Mercapto-1,2,4-triazole exhibits antioxidant properties and has been studied for its potential biological activities, including antimicrobial and antifungal effects. The compound has been used in a study to design a surface enhanced Raman scattering based probe for fast and accurate detection of DNA markers. Its activity is assessed in antimicrobial, antifungal, and antioxidant assays. |
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 3-Mercapto-1,2,4-triazole as a therapeutic agent. The compound is used as a biochemical reagent and building block. It is not administered to animals for pharmacological evaluation. Its applications are limited to in vitro biochemical research and organic synthesis.
|
| Enzyme Assay |
For non-cellular assays, 3-Mercapto-1,2,4-triazole is characterized by standard analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity and purity. Purity is ≥98.0% by GC and ≥98.0% by neutralization titration. The compound has a molecular weight of 101.13 and molecular formula C₂H₃N₃S. Melting point: 218.0 to 223.0°C. Storage: room temperature in a cool and dry place.
|
| Cell Assay |
For in vitro cell-based studies, 3-Mercapto-1,2,4-triazole can be used to assess antimicrobial and antifungal activities. Cells or microorganisms are cultured under standard conditions and treated with the compound to evaluate effects on growth and viability. The compound is typically dissolved in appropriate solvents and diluted in culture medium. Appropriate controls should be included in the experimental design.
|
| Animal Protocol |
For in vivo animal studies, 3-Mercapto-1,2,4-triazole can be formulated using standard injection vehicles. The compound is a solid at room temperature. Dosing solutions should be freshly prepared and administered according to specific protocols with appropriate control groups. Standard handling procedures for mercapto compounds should be followed.
|
| ADME/Pharmacokinetics |
3-Mercapto-1,2,4-triazole has a molecular weight of 101.13 and molecular formula C₂H₃N₃S. It appears as a white to light yellow powder to crystal with a melting point of 218.0 to 223.0°C. Purity: ≥98.0% by GC and ≥98.0% by neutralization titration. Storage: room temperature in a cool and dry place. Solubility: soluble in polar solvents such as water and alcohols.
|
| Toxicity/Toxicokinetics |
3-Mercapto-1,2,4-triazole is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD₅₀ values and detailed toxicological profiles have not been extensively reported.
|
| Additional Infomation |
structure
3-Mercapto-1,2,4-triazole (CAS 3179-31-5) is a versatile ligand in coordination chemistry, a building block for pharmaceutical and agrochemical derivatives, and a functional component in corrosion inhibition and SERS-based sensing. It exhibits antioxidant properties and has been studied for its potential biological activities, including antimicrobial and antifungal effects. The compound has been used to design a SERS-based probe for DNA marker detection. No clinical trials or therapeutic approvals exist. |
| Molecular Formula |
C2H3N3S
|
|---|---|
| Molecular Weight |
101.13
|
| Exact Mass |
101.004
|
| CAS # |
3179-31-5
|
| PubChem CID |
2723802
|
| Appearance |
Off-white to light yellow solid powder
|
| Density |
1.5±0.1 g/cm3
|
| Boiling Point |
275.8±23.0 °C at 760 mmHg
|
| Melting Point |
221-224 °C(lit.)
|
| Flash Point |
120.6±22.6 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.673
|
| LogP |
0.18
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
6
|
| Complexity |
97
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
S=C1NNC=N1
|
| InChi Key |
AFBBKYQYNPNMAT-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)
|
| Chemical Name |
1,2-dihydro-1,2,4-triazole-3-thione
|
| 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 |
| 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
|
|---|---|
| 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 | 9.8883 mL | 49.4413 mL | 98.8826 mL | |
| 5 mM | 1.9777 mL | 9.8883 mL | 19.7765 mL | |
| 10 mM | 0.9888 mL | 4.9441 mL | 9.8883 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
Copyright 2020 InvivoChem LLC | All Rights Reserved
