trifluoro-λ5-phosphanethione

• ChemBase ID: 129873
• Molecular Formular: F3PS
• Molecular Mass: 120.0339706
• Monoisotopic Mass: 119.94104229
• SMILES: FP(=S)(F)F
• Canonical SMILES: FP(=S)(F)F
• InChI: InChI=1S/F3PS/c1-4(2,3)5
• InChIKey: LHGOOQAICOQNRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoro-λ^5-phosphanethione
• IUPAC Traditional name: trifluoro-λ^5-phosphanethione
• Synonyms: Phosphorothioc trifluoride; Phosphorothioic trifluoride; Phosphorus fluoride sulfide; Phosphorus sulfurtrifluoride; Phosphorus thiofluoride; Thiophosphoryl trifluoride; Trifluorophosphine sulfide; trifluoro-λ^5-phosphanethione; Thiophosphoryl fluoride

Database IDs

• CAS Number: 2404-52-6
• PubChem SID: 162224159
• PubChem CID: 137585
• Chemspider ID: 121246
• Wikipedia Title: Thiophosphoryl_fluoride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.303187
• LogD (pH = 7.4): 1.303187
• Log P: 1.303187
• Molar Refractivity: 19.4529 cm^3
• Polarizability: 7.1490407 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: slight, Highly reactive in water
• Apperance: Colorless gas or liquid
• Melting Point: -148.8°C
• Boiling Point: -52.25°C
• Flash Point: very low
• Density: 1.56g/cm^3 liquid 4.906 g/L as gas

Safety Information

• Main Hazard: Spontaneously flammable in air; toxic fumes