Cas no 72886-42-1 (Methyl 3-Mercaptobenzoate, ~85%)
Methyl 3-Mercaptobenzoate, ~85% Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-mercapto-, methyl ester
- Methyl 3-Mercaptobenzoate
- Methyl 3-Mercaptoben
- METHYL 3-MERCAPTOBENZOATE,CLEAR COLOURLESS OIL
- methyl 3-sulfanylbenzoate
- 3-(carboxymethyl)thiophenol
- 3-(methoxycarbonyl)benzenethiol
- 3-Mercapto-benzoesaeure-methylester
- 3-Mercapto-benzoic Acid Methyl Ester
- DTXSID80402386
- SY124895
- AKOS006276284
- Benzoic acid, 3-mercapto-, methyl ester
- W12829
- 72886-42-1
- Methyl 3-Mercaptobenzoate, ~85%
- EN300-139999
- MFCD02094279
- CS-M0304
- BS-41681
- SCHEMBL190224
- Methyl 3-Mercaptobenzoate, ~85per cent
- SRGOMBXXNIVIPR-UHFFFAOYSA-N
- FT-0671952
- 3-Mercaptobenzoic acid methyl ester
- DB-297953
-
- MDL: MFCD02094279
- Inchi: 1S/C8H8O2S/c1-10-8(9)6-3-2-4-7(11)5-6/h2-5,11H,1H3
- InChI Key: SRGOMBXXNIVIPR-UHFFFAOYSA-N
- SMILES: SC1=CC=CC(C(=O)OC)=C1
Computed Properties
- Exact Mass: 168.02500
- Monoisotopic Mass: 168.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 147
- 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
- XLogP3: 2.4
- Topological Polar Surface Area: 27.3A^2
Experimental Properties
- Density: 1.202
- Melting Point: N/A
- Boiling Point: 65-75°C/0.5 mm
- Flash Point: 167.5°C
- Refractive Index: 1.574
- Stability/Shelf Life: Sensitive to Oxidation
- PSA: 65.10000
- LogP: 1.76190
- Vapor Pressure: 0.0±0.5 mmHg at 25°C
Methyl 3-Mercaptobenzoate, ~85% Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:Refrigerator, Under Inert Atmosphere
Methyl 3-Mercaptobenzoate, ~85% Customs Data
- HS CODE:2930909090
- Customs Data:
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Methyl 3-Mercaptobenzoate, ~85% Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| ChemScence | CS-M0304-100mg |
Methyl 3-mercaptobenzoate |
72886-42-1 | 95.36% | 100mg |
$46.0 | 2022-04-26 | |
| ChemScence | CS-M0304-250mg |
Methyl 3-mercaptobenzoate |
72886-42-1 | 95.36% | 250mg |
$86.0 | 2022-04-26 | |
| ChemScence | CS-M0304-1g |
Methyl 3-mercaptobenzoate |
72886-42-1 | 95.36% | 1g |
$173.0 | 2022-04-26 | |
| Matrix Scientific | 083284-1g |
Methyl 3-mercaptobenzoate, 97% |
72886-42-1 | 97% | 1g |
$1950.00 | 2023-09-05 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | XD0242-10g |
Methyl 3-sulfanylbenzoate |
72886-42-1 | 95% | 10g |
$1150 | 2023-09-07 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M935419-100mg |
Methyl 3-mercaptobenzoate |
72886-42-1 | 95% | 100mg |
¥247.50 | 2022-09-01 | |
| abcr | AB488589-1 g |
Methyl 3-mercaptobenzoate, 95%; . |
72886-42-1 | 95% | 1g |
€226.10 | 2023-04-20 | |
| ChemScence | CS-M0304-5g |
Methyl 3-mercaptobenzoate |
72886-42-1 | 95.36% | 5g |
$556.0 | 2022-04-26 | |
| TRC | M320730-500mg |
Methyl 3-Mercaptobenzoate, ~85% |
72886-42-1 | 500mg |
$176.00 | 2023-05-17 | ||
| TRC | M320730-1g |
Methyl 3-Mercaptobenzoate, ~85% |
72886-42-1 | 1g |
$ 261.00 | 2023-09-07 |
Methyl 3-Mercaptobenzoate, ~85% Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
Additional information on Methyl 3-Mercaptobenzoate, ~85%
Research Brief on Methyl 3-Mercaptobenzoate (~85%) and CAS 72886-42-1: Recent Advances and Applications
Methyl 3-Mercaptobenzoate (CAS 72886-42-1), with a purity of approximately 85%, is a sulfur-containing aromatic ester that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its thiol functional group, serves as a versatile intermediate in the synthesis of various bioactive molecules, including potential drug candidates and agrochemicals. Recent studies have explored its utility in medicinal chemistry, particularly in the development of enzyme inhibitors and prodrugs.
One of the most notable applications of Methyl 3-Mercaptobenzoate is its role in the synthesis of thiol-based protease inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy as a building block for cysteine protease inhibitors, which are being investigated for their potential in treating parasitic infections such as Chagas disease. The study highlighted the compound's ability to form stable covalent bonds with the active site of the target enzyme, thereby inhibiting its activity.
In addition to its pharmacological applications, Methyl 3-Mercaptobenzoate has been utilized in materials science. Researchers have recently employed it as a precursor for the synthesis of sulfur-doped graphene, a material with enhanced electrochemical properties. A 2022 publication in ACS Applied Materials & Interfaces detailed its use in creating sulfur-rich carbon frameworks, which exhibit improved performance in energy storage devices such as lithium-sulfur batteries.
The synthesis and purification of Methyl 3-Mercaptobenzoate (~85%) have also seen advancements. A novel catalytic method reported in Organic Letters (2023) utilizes palladium-catalyzed thiolation of methyl 3-bromobenzoate, offering higher yields and reduced environmental impact compared to traditional methods. This development is particularly relevant for industrial-scale production, where efficiency and sustainability are critical considerations.
Despite its promising applications, challenges remain in the handling and storage of Methyl 3-Mercaptobenzoate due to its thiol group's reactivity. Recent research has focused on developing stable derivatives or encapsulation techniques to mitigate these issues. For instance, a 2023 study in Chemical Communications proposed the use of cyclodextrin-based host-guest complexes to enhance the compound's stability without compromising its reactivity in subsequent synthetic steps.
In conclusion, Methyl 3-Mercaptobenzoate (CAS 72886-42-1) continues to be a valuable compound in chemical biology and pharmaceutical research. Its diverse applications, from drug development to advanced materials, underscore its importance in the field. Future research is expected to further explore its potential, particularly in the design of novel therapeutics and functional materials.
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