S-Ethyl Trifluorothioacetate

• Catalog: OFC383642-1
• CAS: 383-64-2
• Category: Other Fluorinated Group Introducing Agents
• Synonyms: Trifluorothioacetic Acid S-Ethyl Ester
• Purity: >98.0%(GC)
• MDL Number: MFCD00000421

• IUPAC Name: S-ethyl 2,2,2-trifluoroethanethioate
• InChI: InChI=1S/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3
• InChI Key: VGGUKFAVHPGNBF-UHFFFAOYSA-N
• Isomeric SMILES: CCSC(=O)C(F)(F)F
• EC Number: 206-852-1
• Reaxys Registry Number: 1761564

• Molecular Formula: C4H5F3OS
• Molecular Weight: 158.14
• Boiling Point: 90 °C
• Flash Point: 3 °C
• Specific Gravity: 1.24
• Refractive Index: 1.38
• Appearance: Colorless to Light yellow clear liquid

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 158.00132044 g/mol
• Monoisotopic Mass: 158.00132044 g/mol
• Topological Polar Surface Area: 42.4Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 109

• HS Number: 2915.90.5050