• Thioacetone CAS 4756-05-2

Thioacetone CAS 4756-05-2

Thioacetone is a low-molecular-weight thioketone classified as an organic synthesis intermediate, used in controlled chemical processes involving sulfur-containing carbonyl analogs. Also known as propanethione, it features a reactive C=S functional group that participates in nucleophilic addition, cyclization, and derivatization reactions relevant to specialty organic synthesis (CAS 4756-05-2). Industrial availability includes competitive factory pricing, support for customized specifications, and complete documentation such as MSDS, TDS, COA, enabling reliable bulk supply for standardized industrial use.

  • CAS: 4756-05-2
  • Synonyms: Thioacetone, Propanethione, 2-Propanethione, Dimethyl thioketone
  • Molecular Formula: C₃H₆S
  • Grade: Industrial grade 99%
  • Package: 200kg iron drum or 50kg plastic drum packaging
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Product Description

Physicochemical properties

PropertyDescription
NameThioacetone
CAS Number4756-05-2
Molecular FormulaC₃H₆S
Molecular Weight74.14 g/mol
AppearanceColorless liquid
OdorExtremely foul; considered one of the worst-smelling chemicals known. It can cause nausea, vomiting, and unconsciousness in nearby individuals.
Boiling Point112.5–113.5 °C (at 757 Torr) / 68.1 °C (at 760 mmHg, predicted)
Density0.871 g/cm³ (at 18 °C) / 0.89 g/cm³ (predicted)
Vapor Pressure211.5 ± 0.1 mmHg (at 25 °C, predicted)
Refractive Index1.471 (predicted)
SolubilityNot specified in available sources (likely insoluble or sparingly soluble in water due to its non-polar nature)
Chemical StructureContains a thioketone functional group (C=S) with two methyl groups (–CH₃) attached to the carbonyl carbon.
StabilityProne to polymerization, especially at temperatures above −20 °C. It forms dimers and trimers under normal conditions.
ReactivityReacts with acids (e.g., concentrated HCl) to form intermediates like trithioacetone, which can decompose to release thioacetone.

Application Areas

Organic synthesis: As a nucleophilic reagent for Michael addition reactions, it is used to synthesize chiral 1,2-aminothiol derivatives, such as the preparation of antifungal drug Thioconazole. The Mitsunobu reaction with alcohols produces acetic acid thiol esters, which are commonly used reagents in acylation reactions.
Catalytic reaction: Participate in asymmetric catalytic reactions in the presence of sulfonylurea or thiourea catalysts to generate highly optically active thioester products

Storage conditions

It needs to be sealed and stored in a fume hood to avoid contact with oxidants and strong alkalis.
Storage containers should be dark, cool, and dry, similar to the general requirements for sulfur-containing compounds such as thioacetic acid

Safety precautions

– Hazardous: Extremely foul odor can cause severe physiological reactions.
– Handling: Use in a well-ventilated area with appropriate protective equipment (e.g., gas masks, gloves).
– Storage: Store at −20 °C or below to prevent polymerization. Seal tightly to avoid leaks.

FAQ - Technical & Supply Chain

  • Q:

    Do Thioacetone and Propanethione refer to the same substance?

    A: Yes. These names describe the same molecular structure and correspond to a single CAS registration, indicating identical substance identity.
  • Q:

    Is Thioacetone typically used as an industrial intermediate rather than for laboratory demonstration purposes?

    A: It is typically intended for use as an intermediate in organic synthesis involving sulfur-containing compounds, rather than as a general laboratory reagent.
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Storage & Handling

Packaging, Storage, and Handling Notes

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Before order confirmation, buyers are advised to review the corresponding product documents and confirm whether any special storage, labeling, or handling requirements apply.

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