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| Other Sizes |
| Targets |
5-Methoxy-2-benzimidazolethiol does not have a defined biological target as a therapeutic agent. It is a chemical building block used in organic synthesis and as a research chemical. The compound may be used in the synthesis of various bioactive molecules, including pharmaceuticals. Its biological activity would be determined by the final molecules into which it is incorporated. It is not characterized for direct pharmacological effects.
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| ln Vitro |
Specific in vitro activity data for 5-Methoxy-2-benzimidazolethiol as a pharmacological agent are not documented in the literature. It is primarily used as a chemical building block. The compound's derivatives, particularly benzimidazole-containing compounds, may exhibit various biological activities including antimicrobial, anticancer, and antiviral effects. However, the parent compound itself is not characterized for direct biological effects.
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| ln Vivo |
5-Methoxy-2-benzimidazolethiol is not used for in vivo pharmacological activity assessment as a drug compound. Its primary application is as a chemical building block in organic synthesis. The compound is not intended to be administered to animals for pharmacological studies. Its derivatives, which are synthesized from this building block, may be evaluated in vivo depending on their therapeutic targets.
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| Enzyme Assay |
As a chemical building block, 5-Methoxy-2-benzimidazolethiol is not typically used in enzyme/receptor binding assays. Its role is in the synthesis of compounds that may be evaluated in such assays. When used in research, it serves as a starting material for the preparation of various benzimidazole derivatives. Standard synthetic chemistry protocols are employed for its use.
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| Cell Assay |
5-Methoxy-2-benzimidazolethiol is not used in cell-based assays as a test compound. Its primary application is as a chemical building block for the synthesis of more complex molecules. The compound's derivatives may be evaluated in cell-based assays for various biological activities, but the parent compound itself is not characterized for direct cellular effects.
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| Animal Protocol |
5-Methoxy-2-benzimidazolethiol is not used in animal studies as a pharmacological agent. Its primary application is as a chemical building block in organic synthesis. The compound is not intended to be administered to animals for efficacy or safety evaluations. Its derivatives may be evaluated in animal models depending on their therapeutic targets.
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| ADME/Pharmacokinetics |
5-Methoxy-2-benzimidazolethiol has a molecular weight of 180.23 g/mol and a molecular formula of C₈H₈N₂OS. It is also known as 2-mercapto-5-methoxybenzimidazole. The compound is used as a building block in organic synthesis and as a research chemical. It is typically stored under standard laboratory conditions.
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| Toxicity/Toxicokinetics |
5-Methoxy-2-benzimidazolethiol is intended for research use only and is not approved for human therapeutic applications. As a chemical building block, comprehensive toxicological data are not available in the publicly accessible literature. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
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| References | |
| Additional Infomation |
5-Methoxy-2-benzimidazolethiol (2-mercapto-5-methoxybenzimidazole) (CAS#: 37052-78-1) has a molecular formula of C₈H₈N₂OS and a molecular weight of 180.23 g/mol. It is a benzimidazole derivative used as a building block in organic synthesis and as a research chemical. This compound is not a drug and has not undergone clinical trials.
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| Molecular Formula |
C8H8N2OS
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|---|---|
| Molecular Weight |
180.23
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| Exact Mass |
180.035
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| CAS # |
37052-78-1
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| Related CAS # |
5-Methoxy-2-benzimidazolethiol-d3;1219804-80-4
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| PubChem CID |
665603
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| Appearance |
White to light yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
309.4±44.0 °C at 760 mmHg
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| Melting Point |
261-263 °C(lit.)
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| Flash Point |
140.9±28.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.695
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| LogP |
1.92
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
12
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| Complexity |
198
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC2=C(C=C1)NC(=S)N2
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| InChi Key |
KOFBRZWVWJCLGM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
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| Chemical Name |
5-methoxy-1,3-dihydrobenzimidazole-2-thione
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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) |
DMSO: 100 mg/mL (554.85 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.87 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 (13.87 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 (13.87 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 | 5.5485 mL | 27.7423 mL | 55.4847 mL | |
| 5 mM | 1.1097 mL | 5.5485 mL | 11.0969 mL | |
| 10 mM | 0.5548 mL | 2.7742 mL | 5.5485 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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