4,5-Bis(2-cyanoethylthio)-1,3-dithiol-2-one TCI B2233

Chemical Identity

CAS No.: 158871-28-4
PubChem: CID 4260353·SID 87565087
Formula: C9H8N2OS4
Molecular weight: 288.4 g/mol
Purity: >98.0%(HPLC)(N)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 3-[[5-(2-cyanoethylsulfanyl)-2-oxo-1,3-dithiol-4-yl]sulfanyl]propanenitrile
SMILES: C(CSC1=C(SC(=O)S1)SCCC#N)C#N
InChIKey: SIYHFUIJFJOCQE-UHFFFAOYSA-N

Rp 7.339.500,00

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4,5-Bis(2-cyanoethylthio)-1,3-dithiol-2-one is a complex chemical compound widely used in synthetic reactions within laboratory settings. As a heterocyclic building block, it plays a crucial role in the development of organic compounds with specific functional groups. Its unique structure, featuring two cyanoethylthio groups attached to a dithiol-2-one core, makes it a versatile reagent for chemical synthesis. This compound is particularly valuable in the creation of bioactive molecules, as its reactivity allows for the formation of diverse chemical structures.

The compound's high reactivity and complex molecular framework make it a preferred choice for researchers working in organic chemistry and medicinal chemistry. Its stability under controlled conditions ensures consistent performance in laboratory experiments, while its ability to interact with various reagents enhances its utility. The combination of structural complexity and chemical versatility positions it as a key component in the synthesis of heterocyclic compounds.

In Indonesian laboratories, this compound is commonly used in research related to pharmaceutical and chemical sciences. It is frequently employed in the development of new compounds with potential applications in medicine and industry. Due to its unique structure and reactivity, it is a favored material among researchers aiming to explore novel chemical pathways and biological activities.

TCI brochures (PDF)

Molecular Conductors 2025-11-13 · p. 6

Related TCI products

Organic synthesis applications benefit from this compound's ability to form complex heterocyclic structures, making it ideal for creating bioactive molecules.
Medicinal chemistry research utilizes its reactivity to develop compounds with potential therapeutic applications in drug discovery.
Chemical research projects rely on its versatility for constructing diverse molecular frameworks in synthetic pathways.
Pharmaceutical development processes use it as a building block for synthesizing compounds with specific functional groups.
Academic research in chemistry and pharmacology employs it to explore new chemical reactions and molecular structures.

Brand	TCI
CAS number	158871-28-4
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Heterocyclic Building Blocks
Pack sizes	Available in various quantities as per supplier specifications
Physical form	Solid or liquid, depending on the specific product variant
Storage	Store in a cool, dry place away from light and moisture

This compound should be stored in a cool, dry environment, away from direct light and moisture to maintain its chemical stability. It is recommended to use airtight containers made of materials such as glass or high-density polyethylene to prevent contamination and degradation. Due to its reactivity, it should be handled in a well-ventilated area, preferably under a fume hood, to minimize exposure. Laboratory personnel should wear appropriate personal protective equipment, including gloves and safety goggles, when handling this material. Proper labeling and storage conditions are essential to ensure safe usage and prevent accidental exposure.

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