ethyl (E)-3-(aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enoate

Base Information

• Chemical Name: ethyl (E)-3-(aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enoate
• CAS No.: 61254-24-8
• Molecular Formula: C9H12N2O2S
• Molecular Weight: 212.2688
• NSC Number: 270006
• DSSTox Substance ID: DTXSID70422336
• Wikidata: Q82234230
• Mol file: 61254-24-8.mol

Synonyms:NSC270006;61254-24-8;DTXSID70422336;NSC-270006

Chemical Property of ethyl (E)-3-(aziridin-1-yl)-2-cyano-3-methylsulfanylprop-2-enoate

Chemical Property:

• Vapor Pressure: 0.00045mmHg at 25°C
• Boiling Point: 315°C at 760 mmHg
• Flash Point: 144.3°C
• Density: 1.286g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 212.06194880
• Heavy Atom Count: 14
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=C(N1CC1)SC)C#N
• Isomeric SMILES: CCOC(=O)/C(=C(\N1CC1)/SC)/C#N