Copper(I) Trifluoromethanethiolate

• Catalog: OFC3872239-1
• CAS: 3872-23-9
• Category: Trifluoromethylthiolation Agents
• Synonyms: (Trifluoromethylthio)copper(I); Trifluoromethanethiol Copper(I) Salt
• Purity: >90.0%(T)
• MDL Number: MFCD00059046

• IUPAC Name: copper(1+);trifluoromethanethiolate
• InChI: InChI=1S/CHF3S.Cu/c2-1(3,4)5;/h5H;/q;+1/p-1
• InChI Key: BCCLDZVXWYCMMP-UHFFFAOYSA-M
• Isomeric SMILES: C(F)(F)(F)[S-].[Cu+]
• EC Number: 803-920-8
• Reaxys Registry Number: 3624454

• Molecular Formula: CCuF3S
• Molecular Weight: 164.61
• Appearance: White to light yellow to light orange powder to crystal
• Storage: 0-10 °C; Store under inert gas
• Stability: Air sensitive, Heat sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 163.896878 g/mol
• Monoisotopic Mass: 163.896878 g/mol
• Topological Polar Surface Area: 1Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.4

• HS Number: 2930.90.9250