ethyl 4-amino-2-methylsulfanyl-1H-imidazole-5-carboxylate

Base Information

• Chemical Name: ethyl 4-amino-2-methylsulfanyl-1H-imidazole-5-carboxylate
• CAS No.: 385796-04-3
• Molecular Formula: C7H11 N3 O2 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30361252
• Wikidata: Q82143505
• Mol file: 385796-04-3.mol

Synonyms:385796-04-3;1H-Imidazole-4-carboxylicacid,5-amino-2-(methylthio)-,ethylester(9CI);Ethyl 4-amino-2-(methylthio)-1H-imidazole-5-carboxylate;ethyl 4-amino-2-methylsulfanyl-1H-imidazole-5-carboxylate;DTXSID30361252;AKOS015830898

Chemical Property of ethyl 4-amino-2-methylsulfanyl-1H-imidazole-5-carboxylate

Chemical Property:

• PSA: 106.30000
• LogP: 1.47170
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 201.05719778
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

5-AMINO-2-(METHYLTHIO)-1H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C(N1)SC)N