1,4-bis(pentafluoro-$l^{6}-sulfanyl)benzene

• ChemBase ID: 97766
• Molecular Formular: C6H4F10S2
• Molecular Mass: 330.209992
• Monoisotopic Mass: 329.95947433
• SMILES: S(c1ccc(cc1)S(F)(F)(F)(F)F)(F)(F)(F)(F)F
• Canonical SMILES: FS(c1ccc(cc1)S(F)(F)(F)(F)F)(F)(F)(F)F
• InChI: InChI=1S/C6H4F10S2/c7-17(8,9,10,11)5-1-2-6(4-3-5)18(12,13,14,15)16/h1-4H
• InChIKey: QLIYRPKCXKSMRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(pentafluoro-$l^{6}-sulfanyl)benzene
• IUPAC Traditional name: 1,4-bis(pentafluoro-$l^{6}-sulfanyl)benzene
• Synonyms: 1,4-Bis(pentafluorothio)benzene

Database IDs

• CAS Number: 1219501-58-2
• MDL Number: MFCD18071068
• PubChem SID: 162084320
• PubChem CID: 53395387

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8118
• LogD (pH = 7.4): 5.8118
• Log P: 5.8118
• Molar Refractivity: 51.4152 cm^3
• Polarizability: 18.4327 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Flammable/Harmful