Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate

Basic Information

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CAS Number

22232-54-8

Molecular Formula

C7H10N2O2S

Molecular Weight

186.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

122.0 to 125.0 deg-C

Boiling Point

240.4°C at 760 mmHg

Water Solubility

Soluble in water, ethanol, chloroform and acetone. Sightly soluble in water.

Flash Point

99.2 °C

Solubility

DMSO: soluble5mg/mL, clear (warmed)

Refractive Index

1.5400 (estimate)

SMILES

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CCOC(=O)N1C=CN(C1=S)C

InChI

InChI=1S/C7H10N2O2S/c1-3-11-7(10)9-5-4-8(2)6(9)12/h4-5H,3H2,1-2H3

InChIKey

CFOYWRHIYXMDOT-UHFFFAOYSA-N

LogP

1.56069

Topological Polar Surface Area

36.16 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

240

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

Light Sensitive

Synonyms & References

English

BRN 0144339
Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate
Thyrostat
Carbimazolum [INN-Latin]
DTXSID9022736
NCGC00177988-01
Carbinazole
EINECS 244-854-4
Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate #
Mertiran
CARBIMAZOLE [INN]
SBI-0207026.P001
BDBM50275889
Athyromazole
D07616
TYRAZOL
Basolest
3-Methyl-2-thioxo-4-imidazoline-1-carboxylic acid ethyl ester
Prestwick3_000439
Atirozidina
BRD-K87156652-001-06-9
Carbimazolum (INN-Latin)
NSC-758966
NCGC00255133-01
FT-0602919
Carbimazole (INN)
Carbimazol henning (TN)
MLS004734638
AM84794
AKOS001647527
CARBIMAZOLE (MART.)

MDL Number

MFCD00027421

Customs Code

2922499915

FAQ

What regulatory guidelines apply to Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate (CAS: 22232-54-8)?

Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate (CAS: 22232-54-8) falls under regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA requirements in the United States. Proper labeling, storage, and disposal must comply with these guidelines to ensure safety and environmental protection.

Are there alternatives to Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate in synthesis?

Alternatives to Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate in synthesis include similar imidazole derivatives with different substituents. Common alternatives include ethyl 3-methyl-2-thio-2,3-dihydro-1H-imidazole-1-carboxylate analogs and other thioimidazoles. These can be used as effective substitutes depending on the specific application requirements.

What is the market or research trend for Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate?

The market for Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate is driven by its applications in pharmaceuticals and agricultural chemicals. Research trends focus on its potential as a biocidal agent and as an intermediate in the synthesis of other compounds. Market trends suggest increasing demand due to its versatile chemical properties and expanding industrial applications.

How should waste containing Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate be handled?

Waste containing Ethyl 3-methyl-2-thioxo-2,3-dihydro-1H-imidazole-1-carboxylate should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but precautions must be taken to ensure no harmful emissions. Environmental protection measures include proper containment to prevent contamination of soil and water sources.