Cas no 7396-41-0 (Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate)
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate
- 1,3-dithiole-2-thione-4,5-dicarboxylic acid dimethyl ester
- dimethyl 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylate
- HMS1526D08
- HMS2472H19
- Dimethyl 2-Thioxo-1,3-dithiole-4,5-dicarboxylate
- MLS000055712
- UZKKFHMMXWDIPD-UHFFFAOYSA-N
- SMR000060737
- 2-thioxo-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester
- 1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLICACIDDIMETHYLESTER
- Maybridge4_001834
- cid_547914
- C7H6O4S3
- BDBM48938
- CS-0204788
- BRD-K17372597-001-01-6
- SR-01000601863-2
- Q27186525
- SCHEMBL1654688
- MFCD00142532
- AKOS001023175
- dimethyl 1,3-dithiol-2-thion-4,5-dicarboxylate
- Dimethyl 1,3-dithiol-2-thione-4,5-dicarboxylate
- 2-thioxo-[1,3]dithiole-4,5-dicarboxylic acid dimethyl ester
- NCGC00177208-01
- NCGC00038947-02
- 7396-41-0
- CHEBI:108048
- CCG-43180
- D2127
- 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester
- BS-23526
- ATROPINEN-OXIDEHYDROCHLORIDE
- Z56796173
- Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate, 98%
- DTXSID00338259
- CHEMBL1371315
- D89997
- 4,5-bis(methylcarboxy)-1,3-dithiole-2-thione
- 4,5-DIMETHYL 2-SULFANYLIDENE-1,3-DITHIOLE-4,5-DICARBOXYLATE
- STL323891
- AG-690/33034001
- DTXCID30289346
- Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate
-
- MDL: MFCD00142532
- Inchi: 1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
- InChI Key: UZKKFHMMXWDIPD-UHFFFAOYSA-N
- SMILES: S1C(=S)SC(C(=O)OC)=C1C(=O)OC
Computed Properties
- Exact Mass: 249.94300
- Monoisotopic Mass: 249.94282219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 304
- 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: nothing
- XLogP3: 2.1
- Topological Polar Surface Area: 135
Experimental Properties
- Color/Form: Not available
- Density: 1.6±0.1 g/cm3
- Melting Point: 85.0 to 90.0 deg-C
- Boiling Point: 362.5±52.0 °C at 760 mmHg
- Flash Point: 173.0±30.7 °C
- PSA: 141.17000
- LogP: 2.11230
- Solubility: Not available
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Safety Instruction: H303+H313+H333
- FLUKA BRAND F CODES:8-10-23
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate 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%
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | DM971-5g |
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate |
7396-41-0 | 98.0%(GC) | 5g |
¥832.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | DM971-1g |
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate |
7396-41-0 | 98.0%(GC) | 1g |
¥272.0 | 2022-05-30 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D869875-5g |
Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate |
7396-41-0 | 98% | 5g |
676.00 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 440779-5G |
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate |
7396-41-0 | 98% | 5G |
661.86 | 2021-05-17 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | D2127-25G |
Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate |
7396-41-0 | >98.0%(GC) | 25g |
¥1350.00 | 2024-04-16 | |
| TRC | D460173-100mg |
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate |
7396-41-0 | 100mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D460173-500mg |
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate |
7396-41-0 | 500mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D460173-1g |
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate |
7396-41-0 | 1g |
$ 95.00 | 2022-06-05 | ||
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | D2127-10G |
Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate |
7396-41-0 | >98.0%(GC) | 10g |
¥650.00 | 2024-04-16 | |
| eNovation Chemicals LLC | D964542-25g |
1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER |
7396-41-0 | 98.0% | 25g |
$225 | 2024-06-07 |
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate Suppliers
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
Additional information on Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate (CAS No. 7396-41-0): An Overview of Its Structure, Properties, and Applications in Chemical and Pharmaceutical Research
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate (CAS No. 7396-41-0) is a versatile organic compound that has garnered significant attention in the fields of chemistry and pharmaceutical research due to its unique structural properties and potential applications. This compound belongs to the class of dithiolthiones, which are characterized by the presence of a thione (C=S) group and two thiol (SH) groups. The dimethyl substituents on the carboxyl groups add further complexity and functionality to the molecule.
The molecular formula of Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate is C8H10O4S3, with a molecular weight of approximately 266.39 g/mol. The compound is known for its stability under a wide range of conditions, making it suitable for various synthetic and analytical applications. Its structure can be represented as:
CH3OOC-C(S)-S-S-COOCH3
The 1,3-dithiol-2-thione core of this compound is particularly interesting due to its ability to undergo various chemical transformations. The thione group can participate in nucleophilic addition reactions, while the thiol groups can engage in redox reactions and form disulfide bonds. These properties make Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate a valuable building block in the synthesis of more complex molecules.
In recent years, Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate has been studied for its potential applications in drug discovery and development. One notable area of research involves its use as a precursor in the synthesis of novel antiviral agents. Studies have shown that compounds derived from Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate exhibit potent antiviral activity against a range of viruses, including herpes simplex virus (HSV) and human immunodeficiency virus (HIV). The unique structural features of this compound allow it to interact with viral proteins in ways that disrupt their function, thereby inhibiting viral replication.
Beyond antiviral applications, Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate has also been explored for its potential as a therapeutic agent in the treatment of neurodegenerative diseases. Research has indicated that derivatives of this compound can cross the blood-brain barrier and exert neuroprotective effects by scavenging reactive oxygen species (ROS) and modulating intracellular signaling pathways. These findings suggest that Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate may have broad therapeutic potential in addressing oxidative stress-related conditions.
In addition to its biological applications, Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate has found use in materials science. The compound's ability to form stable coordination complexes with various metal ions makes it an attractive candidate for the development of metallopolymers and other functional materials. Recent studies have demonstrated that Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate can be used to create metallopolymers with tunable electronic and optical properties, which have potential applications in areas such as sensors and optoelectronics.
The synthesis of Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate typically involves a multi-step process that begins with the reaction of dimethyl malonate with thiourea or another suitable thioamide. The resulting intermediate is then subjected to further transformations to introduce the dithiolthione core. While the exact synthetic route may vary depending on the desired purity and yield, recent advancements in synthetic chemistry have led to more efficient and scalable methods for producing this compound.
In conclusion, Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate (CAS No. 7396-41-0) is a multifaceted compound with a wide range of applications in chemical and pharmaceutical research. Its unique structural properties make it an attractive candidate for the development of novel therapeutic agents and functional materials. As research in this area continues to advance, it is likely that new applications for this compound will be discovered, further expanding its utility in various scientific fields.
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