Cas no 37052-78-1 (5-Methoxy-2-benzimidazolethiol)
5-Methoxy-2-benzimidazolethiol Chemical and Physical Properties
Names and Identifiers
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- 5-Methoxy-1H-benzo[d]imidazole-2-thiol
- 5-Methoxy-2-benzimidazolethiol
- 5-Methoxy-2-mercaptobenzimidazole
- 5-Methoxybenzimidazole-2-thiol
- 2-Mercapto-5-methoxybenzimidazole
- 5-Methoxye-2-mercaplobenzinidazole
- 1,3-DIHYDRO-5-METHOXY-2H-BENZIMIDAZOLE-2-THIONE
- 2H-Benzimidazole-2-thione, 1,3-dihydro-5-methoxy-
- 2-Mercapto-5-methylbenzimidazole
- 5-Methoxy-1H-benzimidazole-2-thiol
- 5-Methoxy-2-mercapto
- 2-Mercapto-5-methoxy-1H-benzim
- 2-mercapto-5-methoxy-1H-benzimidazole
- 5-METHOXY-2-BENZIMIDAZOLEETHIOL
- 5-methoxy-2-mercapto-benzimidazole
- 5-METHOXY-2-THIOBENZIMIDAZOLE
- H 118
- 6-methoxy-1H-benzo[d]imidazole-2-thiol
- 2-巰基-5-甲氧基苯并咪唑
- 5-Methoxy-2-mercaptobenzimidazole 5-Methoxy-2-benzimidazolethiol; 5-Methoxybenzimidazole-2-thiol
- 5-METHOXY-2- BENZIMIDAZOLETHIOL
- 5-methoxy-1H-1,3-benzodiazole-2-thiol
- 5-Methoxy-1H-benzoimidazole-2-thiol
- 143562LXX0
- 5-methoxy-1,3-dihydro-2H-benzimidazole-2-thione
- 5-methoxybenzimida
- Omeprazole Impurity A
- Omeprazole Imp. A (EP): 5-Methoxy-1H- benzimidazole-2-thiol
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- MDL: MFCD00134581
- Inchi: 1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
- InChI Key: KOFBRZWVWJCLGM-UHFFFAOYSA-N
- SMILES: S=C1NC2C=CC(=CC=2N1)OC
- BRN: 3605123
Computed Properties
- Exact Mass: 180.03600
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1.1
- Topological Polar Surface Area: 65.4
Experimental Properties
- Color/Form: powder
- Density: 1.2425 (rough estimate)
- Melting Point: 261-263?°C (lit.)
- Boiling Point: 309.4°C at 760 mmHg
- Flash Point: 140.9℃
- Refractive Index: 1.5690 (estimate)
- Water Partition Coefficient: Insoluble
- PSA: 72.90000
- LogP: 2.23410
- Sensitiveness: Air Sensitive
- Solubility: Insoluble
5-Methoxy-2-benzimidazolethiol Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:Inert atmosphere,2-8°C
- Risk Phrases:R22; R37
- Safety Term:S26;S36
5-Methoxy-2-benzimidazolethiol Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-Methoxy-2-benzimidazolethiol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M108043-5g |
5-Methoxy-2-benzimidazolethiol |
37052-78-1 | 98% | 5g |
¥29.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M108043-100g |
5-Methoxy-2-benzimidazolethiol |
37052-78-1 | 98% | 100g |
¥92.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M108043-500g |
5-Methoxy-2-benzimidazolethiol |
37052-78-1 | 98% | 500g |
¥399.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M108043-25g |
5-Methoxy-2-benzimidazolethiol |
37052-78-1 | 98% | 25g |
¥30.90 | 2023-09-02 | |
| Chemenu | CM115148-500g |
5-methoxy-1H-benzimidazole-2-thiol |
37052-78-1 | 98% | 500g |
$128 | 2021-06-09 | |
| Chemenu | CM115148-1000g |
5-methoxy-1H-benzimidazole-2-thiol |
37052-78-1 | 98% | 1000g |
$196 | 2021-06-09 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R000336-25g |
5-Methoxy-2-benzimidazolethiol |
37052-78-1 | 98% | 25g |
¥31 | 2024-05-24 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R000336-5g |
5-Methoxy-2-benzimidazolethiol |
37052-78-1 | 98% | 5g |
¥28 | 2024-05-24 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 382485-5G |
5-Methoxy-2-benzimidazolethiol |
37052-78-1 | 5g |
¥355.16 | 2023-12-07 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | PHR1986-30MG |
5-Methoxy-2-benzimidazolethiol |
37052-78-1 | 30mg |
¥5286.23 | 2025-01-16 |
5-Methoxy-2-benzimidazolethiol Suppliers
5-Methoxy-2-benzimidazolethiol Related Literature
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G. Shankar,Roshan M. Borkar,Suresh Udutha,M. Kanakaraju,G. Sai Charan,S. Misra,R. Srinivas New J. Chem. 2019 43 7294
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2. Zn2+ detection of a benzimidazole 8-aminoquinoline fluorescent sensor by inhibited tautomerizationHarun Ta?,J?rg Adams,Jan C. Namyslo,Andreas Schmidt RSC Adv. 2021 11 36450
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Qamar Wali,Faiza Jan Iftikhar,Muhammad Ejaz Khan,Andrew Balilonda,Muhammad Aamir,Wei Fan,Shengyuan Yang J. Mater. Chem. C 2022 10 12908
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Qamar Wali,Faiza Jan Iftikhar,Muhammad Ejaz Khan,Andrew Balilonda,Muhammad Aamir,Wei Fan,Shengyuan Yang J. Mater. Chem. C 2022 10 12908
Additional information on 5-Methoxy-2-benzimidazolethiol
Introduction to 5-Methoxy-2-benzimidazolethiol (CAS No. 37052-78-1)
5-Methoxy-2-benzimidazolethiol, identified by the chemical compound code CAS No. 37052-78-1, is a significant heterocyclic organic compound that has garnered considerable attention in the field of pharmaceutical and medicinal chemistry. This compound belongs to the benzimidazole family, a class of molecules known for their diverse biological activities and applications in drug development. The structural framework of 5-Methoxy-2-benzimidazolethiol consists of a benzimidazole core substituted with a methoxy group at the 5-position and a thiol group at the 2-position, which endows it with unique chemical and pharmacological properties.
The benzimidazole scaffold is a privileged structure in medicinal chemistry, featuring a fused ring system that exhibits remarkable stability and biological relevance. The presence of both electron-donating (methoxy) and electron-withdrawing (thiol) groups in 5-Methoxy-2-benzimidazolethiol creates a delicate balance that influences its reactivity and interaction with biological targets. This compound has been extensively studied for its potential therapeutic applications, particularly in the development of novel antimicrobial, antiviral, and anticancer agents.
Recent advancements in computational chemistry and molecular modeling have facilitated a deeper understanding of the pharmacophoric features of 5-Methoxy-2-benzimidazolethiol. Studies have demonstrated that the thiol group at the 2-position can engage in critical hydrogen bonding interactions with biological macromolecules, while the methoxy group enhances solubility and metabolic stability. These insights have guided the design of derivatives with improved pharmacokinetic profiles and enhanced target specificity.
In vitro investigations have revealed that 5-Methoxy-2-benzimidazolethiol exhibits promising activity against various pathogens, including resistant strains of bacteria and fungi. The thiol moiety has been shown to disrupt essential cellular processes such as enzyme function and membrane integrity, making it an attractive scaffold for developing next-generation antimicrobial agents. Additionally, preliminary studies suggest that this compound may interfere with viral replication by inhibiting key enzymes involved in nucleic acid synthesis.
The anticancer potential of 5-Methoxy-2-benzimidazolethiol has also been explored in several preclinical studies. Its ability to modulate intracellular signaling pathways associated with cell proliferation and apoptosis makes it a candidate for further development as an anticancer therapeutic. Researchers have identified that this compound can induce apoptosis in cancer cell lines by activating stress-responsive mechanisms, thereby providing a novel approach to cancer treatment.
The synthesis of 5-Methoxy-2-benzimidazolethiol involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, including transition-metal-catalyzed cross-coupling reactions and palladium-mediated transformations, have been employed to streamline the synthetic route. These techniques not only improve efficiency but also enable the introduction of structural modifications to enhance biological activity.
The role of 5-Methoxy-2-benzimidazolethiol in drug discovery has been further underscored by its incorporation into several clinical trials investigating novel therapeutic strategies. While results are still pending, early findings suggest that derivatives of this compound hold significant promise for treating a range of diseases. The growing body of evidence supporting its efficacy and safety profile positions 5-Methoxy-2-benzimidazolethiol as a valuable asset in the pharmaceutical industry's arsenal against complex diseases.
Future research directions include exploring the mechanism of action of 5-Methoxy-2-benzimidazolethiol at a molecular level to identify additional therapeutic applications. Integration with artificial intelligence-driven drug discovery platforms may accelerate the identification of novel derivatives with enhanced properties. Furthermore, collaborations between academic institutions and pharmaceutical companies could foster innovation and bring this promising compound closer to clinical use.
In conclusion, 5-Methoxy-2-benzimidazolethiol (CAS No. 37052-78-1) represents a compelling example of how structural modifications within the benzimidazole framework can yield compounds with significant biological activity. Its multifaceted applications in antimicrobial, antiviral, and anticancer therapies highlight its potential as a lead molecule for drug development. As research continues to uncover new insights into its pharmacological properties, 5-Methoxy-2-benzimidazolethiol is poised to play an increasingly important role in addressing unmet medical needs.
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