{2-[dimethyl(thiophen-2-yl)silyl]phenyl}methanol

• ChemBase ID: 297781
• Molecular Formular: C13H16OSSi
• Molecular Mass: 248.41604
• Monoisotopic Mass: 248.06911266
• SMILES: C[Si](C)(c1ccccc1CO)c1cccs1
• Canonical SMILES: OCc1ccccc1[Si](c1cccs1)(C)C
• InChI: InChI=1S/C13H16OSSi/c1-16(2,13-8-5-9-15-13)12-7-4-3-6-11(12)10-14/h3-9,14H,10H2,1-2H3
• InChIKey: HVCAKKVDVSHFOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[dimethyl(thiophen-2-yl)silyl]phenyl}methanol
• IUPAC Traditional name: {2-[dimethyl(thiophen-2-yl)silyl]phenyl}methanol
• Synonyms: 2-[Dimethyl(2-thienyl)silyl]benzyl alcohol; 2-[二甲基(2-噻吩基)硅烷基]苄醇

Database IDs

• CAS Number: 853955-72-3
• MDL Number: MFCD11870727
• PubChem SID: 180683312
• PubChem CID: 11242115

CALCULATED PROPERTIES

• Molar Refractivity: 65.1284 cm^3
• Polarizability: 27.642023 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.011452
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.749
• LogD (pH = 7.4): 3.749
• Log P: 3.749

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A