[2-(pentafluoro-λ6-sulfanyl)ethynyl]tris(propan-2-yl)silane

• ChemBase ID: 135719
• Molecular Formular: C11H21F5SSi
• Molecular Mass: 308.426956
• Monoisotopic Mass: 308.1053393
• SMILES: CC(C)[Si](C#CS(F)(F)(F)(F)F)(C(C)C)C(C)C
• Canonical SMILES: CC([Si](C(C)C)(C(C)C)C#CS(F)(F)(F)(F)F)C
• InChI: InChI=1S/C11H21F5SSi/c1-9(2)18(10(3)4,11(5)6)8-7-17(12,13,14,15)16/h9-11H,1-6H3
• InChIKey: OHFCQWVMVRPEHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pentafluoro-λ^6-sulfanyl)ethynyl]tris(propan-2-yl)silane
• IUPAC Traditional name: triisopropyl[2-(pentafluoro-λ^6-sulfanyl)ethynyl]silane
• Synonyms: Pentafluoro[(triisopropylsilyl)ethynyl]sulfur; [(Triisopropylsilyl)acetylene]sulfur pentafluoride; 五氟化[(三异丙基硅基)乙炔基]硫; [(三异丙基硅基)乙炔]五氟化硫

Database IDs

• CAS Number: 474668-34-3
• MDL Number: MFCD11045451
• PubChem SID: 162229992
• PubChem CID: 12010439

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9778
• LogD (pH = 7.4): 5.9778
• Log P: 5.9778
• Molar Refractivity: 63.107 cm^3
• Polarizability: 26.256872 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 1.076 g/mL at 25 °C
• Refractive Index: n20/D 1.414

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C11H21F5SSi

DETAILS

Sigma Aldrich - 697621

Packaging
1 g in glass bottle