Ethyl (R)-2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate

Base Information

• Chemical Name: Ethyl (R)-2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate
• CAS No.: 84711-26-2
• Molecular Formula: C14H16N2O2S
• Molecular Weight: 276.35404
• European Community (EC) Number: 283-735-1
• DSSTox Substance ID: DTXSID701005010
• Nikkaji Number: J309.092B
• Wikidata: Q83000259
• Mol file: 84711-26-2.mol

Synonyms:84711-26-2;Ethyl (R)-2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate;EINECS 283-735-1;ethyl 3-[(1R)-1-phenylethyl]-2-sulfanylidene-1H-imidazole-4-carboxylate;2-Mercapto Etomidate;ethyl 3-(1-phenylethyl)-2-sulfanylidene-1H-imidazole-4-carboxylate;Etomidate EP IMpurity D;ethyl (R)-2-mercapto-1-(1-phenylethyl)-1H-imidazole-5-carboxylate;DTXSID701005010;Ethyl 1-(1-phenylethyl)-2-sulfanyl-1H-imidazole-5-carboxylate;2,3-Dihydro-3-[(R)-1-phenylethyl]-2-thioxo-1H-imidazole-4-carboxylic acid ethyl ester

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Chemical Property of Ethyl (R)-2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 3.46E-06mmHg at 25°C
• Boiling Point: 386.8°C at 760 mmHg
• Flash Point: 187.7°C
• PSA: 82.92000
• Density: 1.26g/cm³
• LogP: 2.95780
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 276.09324893
• Heavy Atom Count: 19
• Complexity: 389

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CNC(=S)N1C(C)C2=CC=CC=C2
• Isomeric SMILES: CCOC(=O)C1=CNC(=S)N1[C@H](C)C2=CC=CC=C2