S-(1,1,2,2-Tetrafluoroethyl)cysteine

Base Information

• Chemical Name: S-(1,1,2,2-Tetrafluoroethyl)cysteine
• CAS No.: 94840-66-1
• Molecular Formula: C5H7 F4 N O2 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20915283
• Nikkaji Number: J425.513E
• Mol file: 94840-66-1.mol

Synonyms:S-(1,1,2,2-tetrafluoroethyl)cysteine;S-TFEC;TFE-Cys

Chemical Property of S-(1,1,2,2-Tetrafluoroethyl)cysteine

Chemical Property:

• Vapor Pressure: 0.00269mmHg at 25°C
• Boiling Point: 265.2°Cat760mmHg
• Flash Point: 114.2°C
• PSA: 88.62000
• Density: 1.515g/cm³
• LogP: 1.68970
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 221.01336229
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C(C(=O)O)N)SC(C(F)F)(F)F
• Isomeric SMILES: C([C@@H](C(=O)O)N)SC(C(F)F)(F)F