1-(2-Thioxo-1,3-thiazolidin-3-yl)ethanone

Basic Information

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CAS Number

76397-53-0

Molecular Formula

C5H7NOS2

Molecular Weight

161.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

112-114 ºC

Boiling Point

248 ºC

Density

1.39

Flash Point

104 ºC

Refractive Index

1.6580-1.6620

SMILES

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CC(=O)N1CCSC1=S

InChI

InChI=1S/C5H7NOS2/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3

InChIKey

BMOBFBQWISCVKX-UHFFFAOYSA-N

LogP

0.8666

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

157

Synonyms & References

English

AKOS003382226
3-Acetylthiazolidine-2-thione
3-Acetylthiazolidine-2-thion
DTXSID10472759
76397-53-0
MFCD08576652
D88517
1-(2-Thioxothiazolidin-3-yl)ethanone
1-(2-thioxo-3-thiazolidinyl)Ethanone
FT-0702733
SCHEMBL823726
A915127
1-(2-Sulfanylidene-1,3-thiazolidin-3-yl)ethan-1-one
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
1-(2-Thioxo-1,3-thiazolidin-3-yl)ethanone
2-Thiazolidinethione, 3-acetyl- (9CI)
Ethanone,1-(2-thioxo-3-thiazolidinyl)-
2-THIAZOLIDINETHIONE,3-ACETYL-(9CI)
3-ACETYLTHIAZOLIDINE-2-THION
3-Acetyl-2-thiazolidinethione
VZ26232
AB1011484
A2301

MDL Number

MFCD08576652

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1-(2-Thioxo-1,3-thiazolidin-3-yl)ethanone (CAS: 76397-53-0)?

1-(2-Thioxo-1,3-thiazolidin-3-yl)ethanone is a white crystalline solid with a molecular weight of 194.28 g/mol. It has a solubility of 1.5 g/L in water and poor solubility in organic solvents. It is moderately reactive, especially towards nucleophiles and reducing agents. It decomposes above 150°C.

How is 1-(2-Thioxo-1,3-thiazolidin-3-yl)ethanone (CAS: 76397-53-0) typically synthesized?

1-(2-Thioxo-1,3-thiazolidin-3-yl)ethanone is typically synthesized via the reaction of 2-thioxo-1,3-thiazolidin-3-ylamine with ethyl acetoacetate. The reaction is carried out in the presence of a base such as potassium carbonate, yielding the target compound with good selectivity and yield.

What industries use 1-(2-Thioxo-1,3-thiazolidin-3-yl)ethanone (CAS: 76397-53-0)?

1-(2-Thioxo-1,3-thiazolidin-3-yl)ethanone is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving sulfur-containing heterocycles. It is also utilized in the polymer industry as a monomer for synthesizing specific polymers and in the sensor industry for its reactivity towards certain analytes.

What precautions should be taken when handling 1-(2-Thioxo-1,3-thiazolidin-3-yl)ethanone (CAS: 76397-53-0)?

Proper personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn when handling 1-(2-Thioxo-1,3-thiazolidin-3-yl)ethanone. Store it in a fume hood to prevent inhalation. In case of spill, use appropriate spill cleanup materials and follow the safety data sheet (SDS) for proper disposal. Avoid contact with skin and eyes and ensure good ventilation in the laboratory area.