tert-butyldimethylthiophen-2-ylsilane

• ChemBase ID: 141169
• Molecular Formular: C10H18SSi
• Molecular Mass: 198.40042
• Monoisotopic Mass: 198.08984811
• SMILES: CC(C)(C)[Si](C)(C)c1cccs1
• Canonical SMILES: C[Si](C(C)(C)C)(c1cccs1)C
• InChI: InChI=1S/C10H18SSi/c1-10(2,3)12(4,5)9-7-6-8-11-9/h6-8H,1-5H3
• InChIKey: HDERSDBULDLBGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethylthiophen-2-ylsilane
• IUPAC Traditional name: tert-butyldimethylthiophen-2-ylsilane
• Synonyms: 2-(tert-Butyldimethylsilyl)thiophene; 2-(叔丁基二甲基硅烷基)噻吩

Database IDs

• CAS Number: 163079-25-2
• MDL Number: MFCD10000898
• PubChem SID: 162235404
• PubChem CID: 11142224

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7364
• LogD (pH = 7.4): 3.7364
• Log P: 3.7364
• Molar Refractivity: 52.3405 cm^3
• Polarizability: 22.96064 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 40-45 °C/0.2 mmHg
• Flash Point: 168.8 °F; 76 °C
• Density: 0.929 g/mL at 25 °C

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-H413
• 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: 98%
• Empirical Formula (Hill Notation): C10H18SSi

DETAILS

Sigma Aldrich - 693308

Packaging
1, 5 g in glass bottle