triethoxy(thiophen-2-yl)silane

• ChemBase ID: 139489
• Molecular Formular: C10H18O3SSi
• Molecular Mass: 246.39862
• Monoisotopic Mass: 246.07459197
• SMILES: CCO[Si](c1cccs1)(OCC)OCC
• Canonical SMILES: CCO[Si](c1cccs1)(OCC)OCC
• InChI: InChI=1S/C10H18O3SSi/c1-4-11-15(12-5-2,13-6-3)10-8-7-9-14-10/h7-9H,4-6H2,1-3H3
• InChIKey: ZRQAIBMAFLMIND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy(thiophen-2-yl)silane
• IUPAC Traditional name: triethoxy(thiophen-2-yl)silane
• Synonyms: Triethoxy-2-thienylsilane; 三乙氧基-2-噻吩基硅烷

Database IDs

• CAS Number: 17984-89-3
• MDL Number: MFCD05664345
• PubChem SID: 24881663; 162233737
• PubChem CID: 10879423

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8437
• LogD (pH = 7.4): 2.8437
• Log P: 2.8437
• Molar Refractivity: 57.1265 cm^3
• Polarizability: 25.077389 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78 °C/0.5 mmHg(lit.)
• Flash Point: 105 °C; 221 °F
• Density: 1.049 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4670(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H18O3SSi

DETAILS

Sigma Aldrich - 597007

Application
A silicon-based nucleophile shown to be reactive in Pd-catalyzed cross-coupling reactions.1
Packaging
1, 10 g in glass bottle