3-((Carboxymethyl)sulfinyl)alanine

Base Information

• Chemical Name: 3-((Carboxymethyl)sulfinyl)alanine
• CAS No.: 20960-90-1
• Molecular Formula: C5H9NO5S
• Molecular Weight: 195.1937
• European Community (EC) Number: 641-943-3
• DSSTox Substance ID: DTXSID30943254
• Nikkaji Number: J363.157E,J439.829G
• Mol file: 20960-90-1.mol

Synonyms:carbocysteine sulfoxide;carbocysteine sulphoxide

Chemical Property of 3-((Carboxymethyl)sulfinyl)alanine

Chemical Property:

• Boiling Point: 582.8°Cat760mmHg
• Flash Point: 306.3°C
• Density: 1.714g/cm³
• XLogP3: -4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 195.02014356
• Heavy Atom Count: 12
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)N)S(=O)CC(=O)O
• Isomeric SMILES: C([C@@H](C(=O)O)N)S(=O)CC(=O)O