tris((methylsulfanyl)methane); tetrakis(iodocopper)

• ChemBase ID: 143015
• Molecular Formular: C6H18Cu4I4S3
• Molecular Mass: 948.204
• Monoisotopic Mass: 945.39334558
• SMILES: CSC.CSC.CSC.[Cu]I.[Cu]I.[Cu]I.[Cu]I
• Canonical SMILES: CSC.CSC.CSC.I[Cu].I[Cu].I[Cu].I[Cu]
• InChI: InChI=1S/3C2H6S.4Cu.4HI/c3*1-3-2;;;;;;;;/h3*1-2H3;;;;;4*1H/q;;;4*+1;;;;/p-4
• InChIKey: PXRJJSAVIXAAON-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: tris((methylsulfanyl)methane); tetrakis(iodocopper)
• IUPAC Traditional name: tetrakis(copper(I) iodide); tris(dimethyl sulfide)
• Synonyms: μ-Iodotri-μ3-iodotris[thiobis[methane]]tetracopper; Copper iodide dimethyl sulfide complex; 碘化亚铜二甲基硫络合物

Database IDs

• CAS Number: 914915-20-1
• MDL Number: MFCD15144828
• PubChem SID: 162237239
• PubChem CID: 10855062

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2235795
• LogD (pH = 7.4): 1.2235795
• Log P: 1.2235795
• Molar Refractivity: 18.8917 cm^3
• Polarizability: 7.4785047 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 102-106 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6H18Cu4I4S3

DETAILS

Sigma Aldrich - 715182

Packaging
5 g in glass bottle
Application
Catalyst for conjugate addition reactions1,2