Ethyl {[1-(dimethylcarbamoyl)-3-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate | CAS No. 112143-82-5

Ethyl {[1-(dimethylcarbamoyl)-3-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate

Basic Information

CAS Number

112143-82-5

Molecular Formula

C13H22N4O3S

Molecular Weight

314.41 g/mol

AD

Basic Physical Properties

Melting Point

52-56 °C

Boiling Point

280°C (rough estimate)

Refractive Index

1.6200 (estimate)

CCOC(=O)CSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

InChI

InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3

InChIKey

NKNFWVNSBIXGLL-UHFFFAOYSA-N

LogP

1.7605

Topological Polar Surface Area

77.32 Ų

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

384

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H330 Fatal if inhaled
Acute toxicity, inhalation
H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Toxicity

LD50 (14 d) in mice, rats (mg/kg): 61, 50-200 orally; in rats (mg/kg): >5000 dermally (Murray); LC50 (48 h) in daphnia: 0.048 mg/l; (96 h) in bluegill, trout: 1.0, 0.43 mg/l (Murray)

Synonyms & References

English

  • Triazamat
  • TRIAZAMATE [ISO]
  • 1-dimethylcarbamoyl-3-t-butyl-5-carboethoxymethylthio-1H-1,2,4-triazole
  • Triazamate [ISO:BSI]
  • FT-0631060
  • NS00004744
  • CHEBI:38576
  • ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
  • RH-7988
  • ((1-((DIMETHYLAMINO)CARBONYL)-3-(1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOL-5-YL)THIO)ACETIC ACID ETHYL ESTER
  • ETHYL 2-((1-((DIMETHYLAMINO)CARBONYL)-3-(1,1-DIMETHYLETHYL)-1H-1,2,4-TRIAZOL-5-YL)THIO)ACETATE
  • AKOS040747549
  • Q3538727
  • Triazamate
  • UNII-B4914SW93T
  • 1-dimethylcarbamoyl-3-t-butyl-5-carboethoxymethylthio-1,2,4-1H-triazole
  • ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
  • Triazuron
  • RH 7988
  • ethyl (3-tert-butyl-1-dimethylcarbamoyl-1h-1,2,4-triazol-5-ylthio)acetate
  • NKNFWVNSBIXGLL-UHFFFAOYSA-N
  • WL-145158
  • RH7988
  • DTXSID5034307
  • Triazamate 100 microg/mL in Cyclohexane
  • ethyl 2-(3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-ylthio)acetate
  • TRIAZAMATE [MI]
  • SCHEMBL27089
  • 1-(N,N-dimethylcarbamoyl)-3-tert-butyl-5-carbethoxymethylthio-1H-1,2,4-triazole
  • MFCD01632354
  • 110895-43-7

MDL Number

MFCD01632354

FAQ

What regulatory guidelines apply to Ethyl {[1-(dimethylcarbamoyl)-3-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS: 112143-82-5)?

Ethyl {[1-(dimethylcarbamoyl)-3-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS: 112143-82-5) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), the European Union’s REACH regulations, and the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) in the USA. Specific safety data sheets (SDS) should be consulted for detailed handling instructions and emergency procedures.

Are there alternatives to Ethyl {[1-(dimethylcarbamoyl)-3-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS: 112143-82-5) in synthesis?

Yes, there are alternatives to Ethyl {[1-(dimethylcarbamoyl)-3-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS: 112143-82-5) in synthesis, such as other sulfur-containing triazole derivatives or similar functional groups. Common alternative reagents include ethyl thioacetate or related compounds with similar chemical structures, but care should be taken to ensure the selected reagent meets the desired synthetic objectives.

What is the market or research trend for Ethyl {[1-(dimethylcarbamoyl)-3-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS: 112143-82-5)?

The market and research trends for Ethyl {[1-(dimethylcarbamoyl)-3-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS: 112143-82-5) are expanding in the development of new pharmaceuticals and agrochemicals. Research is focusing on its potential applications in antiviral and antimicrobial agents. The demand is driven by increasing investment in R&D and growing interest in novel chemical entities with specific biological activities.

How should waste containing Ethyl {[1-(dimethylcarbamoyl)-3-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS: 112143-82-5) be handled?

Waste containing Ethyl {[1-(dimethylcarbamoyl)-3-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS: 112143-82-5) should be collected in appropriate containers and stored in a well-ventilated area. Incineration or professional waste disposal services are recommended for safe disposal. Environmental protection measures, such as preventing water contamination, should be strictly adhered to. Disposal must comply with local regulations and environmental protection guidelines.

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