pentafluoro(trifluoromethyl)-$l^{6}-sulfane

• ChemBase ID: 99762
• Molecular Formular: CF8S
• Molecular Mass: 196.0629256
• Monoisotopic Mass: 195.95929676
• SMILES: S(F)(F)(F)(F)(C(F)(F)F)F
• Canonical SMILES: FS(C(F)(F)F)(F)(F)(F)F
• InChI: InChI=1S/CF8S/c2-1(3,4)10(5,6,7,8)9
• InChIKey: QIYZKVMAFMDRTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentafluoro(trifluoromethyl)-$l^{6}-sulfane
• IUPAC Traditional name: pentafluoro(trifluoromethyl)-$l^{6}-sulfane
• Synonyms: Trifluoromethylsulphur pentafluoride 99%

Database IDs

• CAS Number: 373-80-8
• MDL Number: MFCD00042467
• PubChem SID: 162086011
• PubChem CID: 136213

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9928
• LogD (pH = 7.4): 3.9928
• Log P: 3.9928
• Molar Refractivity: 19.038 cm^3
• Polarizability: 7.457407 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -86.9°C
• Boiling Point: -20.4°C
• Flash Point: none°C
• Density: >1.2

Safety Information

• Storage Warning: Irritant

DETAILS

Apollo Scientific Ltd - PC7769

Cylinder - 1/4" NPT connection