(2-{dimethyl[4-(methylsulfanyl)phenyl]silyl}phenyl)methanol

• ChemBase ID: 297820
• Molecular Formular: C16H20OSSi
• Molecular Mass: 288.4799
• Monoisotopic Mass: 288.10041279
• SMILES: C[Si](C)(c1ccc(cc1)SC)c1ccccc1CO
• Canonical SMILES: CSc1ccc(cc1)[Si](c1ccccc1CO)(C)C
• InChI: InChI=1S/C16H20OSSi/c1-18-14-8-10-15(11-9-14)19(2,3)16-7-5-4-6-13(16)12-17/h4-11,17H,12H2,1-3H3
• InChIKey: GYMHMHLSZBSCIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{dimethyl[4-(methylsulfanyl)phenyl]silyl}phenyl)methanol
• IUPAC Traditional name: (2-{dimethyl[4-(methylsulfanyl)phenyl]silyl}phenyl)methanol
• Synonyms: 2-(Dimethyl[4-(methylthio)phenyl]silyl)benzyl alcohol; 2-(二甲基[4-(甲基硫代)苯基]硅烷)苄醇

Database IDs

• MDL Number: MFCD16293894
• PubChem SID: 180683351
• PubChem CID: 57416883

CALCULATED PROPERTIES

• Acid pKa: 15.01316
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.8104
• LogD (pH = 7.4): 4.8104
• Log P: 4.8104
• Molar Refractivity: 81.6216 cm^3
• Polarizability: 33.909668 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

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

Product Information

• Purity: 95%