Timonacic | CAS No. 444-27-9

Timonacic

Basic Information

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CAS Number

444-27-9

Molecular Formula

C4H7NO2S

Molecular Weight

133.17 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

194-200°C

Boiling Point

350.3°C at 760 mmHg

Flash Point

165.7°C

Refractive Index

1.5480 (estimate)

SMILES

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OC(=O)C1CSCN1

InChI

InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)

InChIKey

DZLNHFMRPBPULJ-UHFFFAOYSA-N

LogP

-0.2664999999999999

Topological Polar Surface Area

49.33 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

106

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

Thiazolidine-4-carboxylic acid
1,3-Thiazolidine-4-carboxylic acid
4-thiazolidin-carboxylic acid
1-thiazolidine-4-carboxylic acid
4-thiazolidinecarboxylic acid
Timonacic

MDL Number

MFCD00128958

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Timonacic (CAS: 444-27-9)?

Timonacic (CAS: 444-27-9) is a crystalline compound with a molecular weight of approximately 282.27 g/mol. It has a low solubility in water but is soluble in common organic solvents. Chemically, it is relatively stable but can react with strong oxidizing agents. It is typically stored in a cool, dry place away from direct sunlight.

How is Timonacic (CAS: 444-27-9) typically synthesized?

Timonacic (CAS: 444-27-9) is synthesized via a multi-step process involving condensation and cyclization reactions. Commonly, it is prepared using a Friedel-Crafts alkylation followed by ring closure. The reaction is catalyzed by aluminum chloride, with high yield and good selectivity achieved under anhydrous conditions.

What industries use Timonacic (CAS: 444-27-9)?

Timonacic (CAS: 444-27-9) is primarily used in the pharmaceutical industry for its pharmacological properties. It also finds applications in the polymer industry for its antioxidant activity and in sensors for its sensing capabilities. Its use in semiconductors is limited due to its specific chemical structure and reactivity.

What precautions should be taken when handling Timonacic (CAS: 444-27-9)?

Timonacic (CAS: 444-27-9) should be handled with care in a well-ventilated environment, preferably with a fume hood. Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat is essential. Spills should be cleaned up immediately with appropriate absorbents, and the area should be washed thoroughly. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.