Cystathionine ketimine

Base Information

• Chemical Name: Cystathionine ketimine
• CAS No.: 87254-95-3
• Molecular Formula: C7H9 N O4 S
• Molecular Weight: 203.22
• UNII: NJ8ZB68PWN
• DSSTox Substance ID: DTXSID40236240
• Wikidata: Q27162226
• Metabolomics Workbench ID: 37974
• Mol file: 87254-95-3.mol

Synonyms:cystathionine ketimine

Chemical Property of Cystathionine ketimine

Chemical Property:

• Vapor Pressure: 2.87E-11mmHg at 25°C
• Boiling Point: 497.9°C at 760 mmHg
• Flash Point: 254.9°C
• PSA: 112.26000
• Density: 1.62g/cm³
• LogP: -0.46230
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 203.02522894
• Heavy Atom Count: 13
• Complexity: 263

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSCC(=NC1C(=O)O)C(=O)O
• Isomeric SMILES: C1CSCC(=N[C@H]1C(=O)O)C(=O)O