2-[(5S)-2,4-Dioxothiazolidin-5-Yl]Acetate
[CAS# 875-97-8]

Identification

• Name: 2-[(5S)-2,4-Dioxothiazolidin-5-Yl]Acetate
• Synonyms: 2-[(5S)-2,4-Dioxothiazolidin-5-Yl]Acetate; 2-[(5S)-2,4-Dioxo-5-Thiazolidinyl]Acetate; 2-[(5S)-2,4-Diketothiazolidin-5-Yl]Acetate
• Molecular Formula: C₅H₄NO₄S
• Molecular Weight: 174.15
• CAS Registry Number: 875-97-8
• SMILES: [C@H]1(SC(=O)NC1=O)CC([O-])=O
• InChI: 1S/C5H5NO4S/c7-3(8)1-2-4(9)6-5(10)11-2/h2H,1H2,(H,7,8)(H,6,9,10)/p-1/t2-/m0/s1
• InChIKey: NYOCHSASHNVXRM-REOHCLBHSA-M

Properties

• Boiling point: 489.311°C at 760 mmHg (Cal.)
• Flash point: 249.726°C (Cal.)

References

• (1): Chen, Y and Shoichet BK. Molecular docking and ligand specificity in fragment-based inhibitor design, Nature Chemical Biology, 2009