trifluoro[(trifluoromethyl)disulfanyl]methane

• ChemBase ID: 9886
• Molecular Formular: C2F6S2
• Molecular Mass: 202.1418192
• Monoisotopic Mass: 201.93456132
• SMILES: S(SC(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(SSC(F)(F)F)(F)F
• InChI: InChI=1S/C2F6S2/c3-1(4,5)9-10-2(6,7)8
• InChIKey: CGMFFOXAQVRUAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoro[(trifluoromethyl)disulfanyl]methane
• IUPAC Traditional name: trifluoro[(trifluoromethyl)disulfanyl]methane
• Synonyms: Bis(trifluoromethyl) disulfide

Database IDs

• CAS Number: 372-64-5
• MDL Number: MFCD00041514
• PubChem SID: 160973193
• PubChem CID: 67795

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4989963
• LogD (pH = 7.4): 4.4989963
• Log P: 4.4989963
• Molar Refractivity: 27.1384 cm^3
• Polarizability: 10.401949 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 34°C
• Density: 1.51

Safety Information

• Storage Warning: TOXIC BY INHALATION
• TSCA Listed: false

Product Information

• Purity: 99+%