Cas no 7396-41-0 (Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate)

Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate is a sulfur-containing heterocyclic compound with a dithiolethione core structure. Its key features include a reactive thione group and ester-functionalized carboxylate moieties, making it a versatile intermediate in organic synthesis and coordination chemistry. The compound exhibits strong electron-accepting properties due to its conjugated system, which is useful in the development of conductive materials and redox-active ligands. Its stability under ambient conditions and solubility in common organic solvents facilitate handling in laboratory settings. Applications span from precursors for functionalized polymers to potential building blocks in medicinal chemistry, particularly in the design of sulfur-based pharmacophores. The presence of multiple reactive sites allows for selective derivatization, enhancing its utility in tailored synthetic routes.
Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate structure
7396-41-0 structure
Product Name:Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate
CAS No:7396-41-0
MF:C7H6O4S3
MW:250.315138339996
MDL:MFCD00142532
CID:978700
PubChem ID:87568571
Update Time:2025-06-08

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:

    2930909090

    Overview:

    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 >>

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Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:7396-41-0)Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate
Order Number:A1206910
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:57
Price ($):170.0

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.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:7396-41-0)Dimethyl 1,3-Dithiol-2-thione-4,5-dicarboxylate
A1206910
Purity:99%
Quantity:25g
Price ($):170.0
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