Potassium 2-Thienyltrifluoroborate

• Catalog: OFC906674553
• CAS: 906674-55-3
• Category: Fluorinated Thiophenes
• Synonyms: potassium;trifluoro(thiophen-2-yl)boranuide
• Purity: 95%
• MDL Number: MFCD04112719

• IUPAC Name: potassium;trifluoro(thiophen-2-yl)boranuide
• InChI: InChI=1S/C4H3BF3S.K/c6-5(7,8)4-2-1-3-9-4;/h1-3H;/q-1;+1
• InChI Key: LXOCUYMZBWNQQS-UHFFFAOYSA-N
• Isomeric SMILES: [B-](C1=CC=CS1)(F)(F)F.[K+]
• EC Number: 687-417-7

• Molecular Formula: C4H3BF3KS
• Molecular Weight: 190.04
• Molar Refractivity: 33.03

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 189.9637674 g/mol
• Monoisotopic Mass: 189.9637674 g/mol
• Topological Polar Surface Area: 28.2Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 107
• Bioavailability Score: 0.55
• Egan: 0.0
• Ghose: None
• Lipinski: 0.0
• Muegge: 3.0
• Veber: 0.0
• Consensus LogP: 2.01
• MLogP: 1.72
• SILICOS-IT: 2.12
• WLogP: 3.06
• XLogP3: 3.16
• iLogP: 0.0
• BBB Permeant: Yes
• CYP1A2 Inhibitor: No
• CYP2C19 Inhibitor: No
• CYP2C9 Inhibitor: No
• CYP2D6 Inhibitor: No
• CYP3A4 Inhibitor: No
• GI Absorption: High
• LogKp: -5.22 cm/s
• P-gp Substrate: No
• Fraction Csp3: 0.0

• GHS Pictogram: GHS07
• Hazard Statements: H302-H315-H319-H335
• Precautionary Statements: P261-P305+P351+P338