S-(2-Carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine

Base Information

• Chemical Name: S-(2-Carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine
• CAS No.: 134381-43-4
• Molecular Formula: C9H13 N3 O4 S
• Molecular Weight: 259.28
• DSSTox Substance ID: DTXSID00928593
• Mol file: 134381-43-4.mol

Synonyms:2-DIECys;S-(2-carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine

Chemical Property of S-(2-Carboxy-1-(1H-imidazol-4-yl) ethyl)cysteine

Chemical Property:

• Vapor Pressure: 1.6E-15mmHg at 25°C
• Boiling Point: 605.7°Cat760mmHg
• PKA: 2.02±0.10(Predicted)
• Flash Point: 320.1°C
• PSA: 154.60000
• Density: 1.544g/cm³
• LogP: 0.77090
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 259.06267708
• Heavy Atom Count: 17
• Complexity: 289

Purity/Quality:

S-(2-CARBOXY-1-(1H-IMIDAZOL-4-YL) ETHYL)CYSTEINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=N1)C(CC(=O)O)SCC(C(=O)O)N