Cas no 13623-94-4 (Bis(methylthio)-2-nitroethylene)

Bis(methylthio)-2-nitroethylene is a nitroalkene derivative characterized by its two methylthio (–SCH?) substituents attached to a nitroethylene backbone. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and functionalized nitroolefins. Its electron-withdrawing nitro group and sulfur-containing moieties enhance reactivity in Michael additions and cycloaddition reactions. The presence of methylthio groups also contributes to improved solubility in organic solvents, facilitating handling in synthetic applications. Bis(methylthio)-2-nitroethylene is valued for its stability under controlled conditions and its role in constructing complex molecular architectures in pharmaceuticals and agrochemicals. Proper storage under inert conditions is recommended to maintain its integrity.
Bis(methylthio)-2-nitroethylene structure
13623-94-4 structure
Product Name:Bis(methylthio)-2-nitroethylene
CAS No:13623-94-4
MF:C4H7NO2S2
MW:165.2338783741
MDL:MFCD00010443
CID:49376
PubChem ID:87564302
Update Time:2025-05-20

Bis(methylthio)-2-nitroethylene Chemical and Physical Properties

Names and Identifiers

    • 1,1-Bis(methylthio)-2-nitroethylene
    • 1,1-Dimethylthio-2-nitroethylene
    • Bis(methylthio)-2-nitroethylene
    • 1,1-Di(Methylthio)-2-nitroeth-1-ene
    • Nitroketene dimethyl mercaptal
    • Nitroketene Dimethylmercaptole
    • 1,1-bismethylthio-2-nitroethylene
    • AKOS 91946
    • NSC 241513
    • 2-NITRO-1,1-DIMETHYLTHIOETHYLENE
    • 1,1-BIS-METHYLTHIO-2-NITROETHENE
    • Nitroketene dimethyldithioacetal
    • 1-Nitro-2,2-bis(methylthio)ethene
    • NitroketeneDimethylmercaptole
    • 1,1-bis(methylsulfanyl)-2-nitroethene
    • 1-Nitro-2,2-bis(methylthio)ethylene
    • Ethene, 1,1-bis(methylthio)-2-nitro-
    • 1,1-bis(methylthio)-2-nitroethene
    • 1,1-bis-(methylthio)-2-nitroethene
    • (2-nitroethene-1,1-diyl)bis(methylsulfane)
    • 1,1-dimethylthio-2-nitroethene
    • NXGHEDHQXXXTTP-UHFFFAOYSA-N
    • 1,1-bis-methylthio-2-nitroethylene
    • C4H7NO2S2
    • 1,1-bis-methylsulfanyl-2-nitro-ethene
    • HY-W017171
    • B1378
    • SY038264
    • NSC241513
    • 1-nitro-2,2-bis-methylthioethylene
    • AKOS000281014
    • MFCD00010443
    • Q-200051
    • 1,1-bis-methylthio-2-nitro-ethylene
    • 1.1-Bis(methylthio)-2-nitroethylene
    • 1,1-bis(methylsulphanyl)-2-nitroethylene
    • NSC-241513
    • PD055589
    • 1, 1-bis(methylthio)-2-nitroethylene
    • 1nitro-2,2-bis-methylthioethylene
    • SCHEMBL888277
    • 1,1-bismethylthio-2-nitroethene
    • 1,1,-bis(methylthio)-2-nitroethene
    • EN300-43557
    • DTXSID90159738
    • 13623-94-4
    • 1-nitro2,2-bis-methylthioethylene
    • UNII-38A002C515
    • 1-nitro-2,2-bis methylthioethylene
    • STR00012
    • BP-11359
    • 1,1-bis-(methylthio)-2-nitroethylene
    • CHEMBL3397109
    • FT-0606070
    • 1,1-Bis(methylsulfanyl)-2-nitroethylene #
    • 1-nitro-2,2-bis (methylthio)ethylene
    • 1,1-di(methylthio)-2-nitroethylene
    • 38A002C515
    • 1,1-Bis(methylthio)-2-nitroethylene, 95%
    • (1,1-di(methylthio)-2-nitroethene)
    • 1,1-di(methylthio)-2-nitroethene
    • CS-W017887
    • Z336079410
    • BCP21439
    • NS00024417
    • EINECS 237-108-4
    • 1-nitro-2,2-di(methylthio)ethylene
    • 1-nitro-2,2-bis-methylthio-ethylene
    • 1-nitro-2-,2-bis-methylthioethylene
    • DTXCID1082229
    • DB-042337
    • MDL: MFCD00010443
    • Inchi: 1S/C4H7NO2S2/c1-8-4(9-2)3-5(6)7/h3H,1-2H3
    • InChI Key: NXGHEDHQXXXTTP-UHFFFAOYSA-N
    • SMILES: S(C)/C(=C/[N+](=O)[O-])/SC
    • BRN: 1524538

Computed Properties

  • Exact Mass: 164.99200
  • Monoisotopic Mass: 164.992
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 123
  • 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: 2
  • XLogP3: 1.6
  • Topological Polar Surface Area: 96.4

Experimental Properties

  • Color/Form: Yellow crystal powder
  • Density: 1.331 (estimate)
  • Melting Point: 124.0 to 128.0 deg-C
  • Boiling Point: 248.6℃ at 760 mmHg
  • Flash Point: 104.1 °C
  • Refractive Index: 1.5480 (estimate)
  • PSA: 96.42000
  • LogP: 2.31120
  • Solubility: Not determined

Bis(methylthio)-2-nitroethylene Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:UN 3335
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S37/39
  • FLUKA BRAND F CODES:10-13
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • HazardClass:9
  • PackingGroup:None
  • Storage Condition:Store at room temperature

Bis(methylthio)-2-nitroethylene 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%

Bis(methylthio)-2-nitroethylene Pricemore >>

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Bis(methylthio)-2-nitroethylene Production Method

Bis(methylthio)-2-nitroethylene Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:13623-94-4)1,1-二甲硫基硝基乙烯
Order Number:LE2473959;LE17638
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:40
Price ($):discuss personally
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:13623-94-4)Bis(methylthio)-2-nitroethylene
Order Number:A911003
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:40
Price ($):209.0

Additional information on Bis(methylthio)-2-nitroethylene

Bis(methylthio)-2-nitroethylene: A Comprehensive Overview

Bis(methylthio)-2-nitroethylene, also known by its CAS number 13623-94-4, is a compound of significant interest in various fields of chemistry and materials science. This compound has garnered attention due to its unique chemical properties and potential applications in advanced materials, pharmaceuticals, and industrial processes. Recent studies have shed light on its structural characteristics, synthesis methods, and functional properties, making it a subject of ongoing research.

The molecular structure of Bis(methylthio)-2-nitroethylene comprises two methylthio groups attached to a central ethylene backbone, with a nitro group at the second position. This configuration imparts the compound with distinct electronic and steric properties. Researchers have explored its reactivity under different conditions, revealing its potential as a precursor for synthesizing more complex molecules. The compound's ability to undergo various transformations, such as nucleophilic substitution and oxidation reactions, has been extensively documented in recent literature.

One of the most notable aspects of Bis(methylthio)-2-nitroethylene is its role in the development of advanced materials. Scientists have investigated its use in creating high-performance polymers and composites. For instance, studies have demonstrated that the compound can serve as a building block for thermally stable polymers, which are essential for aerospace and electronics applications. The incorporation of methylthio groups enhances the material's resistance to thermal degradation, making it a promising candidate for high-temperature applications.

In the pharmaceutical industry, Bis(methylthio)-2-nitroethylene has shown potential as an intermediate in drug synthesis. Its nitro group can be selectively reduced to form amino derivatives, which are valuable in medicinal chemistry. Recent research has focused on optimizing the synthesis pathways to improve yield and purity, ensuring scalability for industrial production. The compound's versatility in forming different functional groups makes it a valuable tool in drug discovery.

The environmental impact of Bis(methylthio)-2-nitroethylene has also been a topic of interest. Studies have examined its biodegradation pathways under various environmental conditions, providing insights into its ecological footprint. Researchers have found that the compound can undergo microbial degradation under aerobic conditions, reducing its persistence in the environment. These findings are crucial for assessing its safety and sustainability in industrial applications.

From a synthetic perspective, the production of Bis(methylthio)-2-nitroethylene involves multi-step reactions that require precise control over reaction conditions. Recent advancements in catalytic methods have enabled more efficient syntheses, reducing production costs and enhancing product quality. The use of transition metal catalysts has been particularly effective in facilitating key transformations during the synthesis process.

In conclusion, Bis(methylthio)-2-nitroethylene (CAS No. 13623-94-4) is a versatile compound with diverse applications across multiple industries. Its unique chemical properties, coupled with recent research advancements, position it as a valuable material for future innovations. As ongoing studies continue to uncover new potentials, this compound is poised to play an increasingly important role in both academic research and industrial development.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:13623-94-4)1,1-二甲硫基硝基乙烯
LE2473959;LE17638
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email
Amadis Chemical Company Limited
(CAS:13623-94-4)Bis(methylthio)-2-nitroethylene
A911003
Purity:99%
Quantity:100g
Price ($):209.0
Email