tris(tert-butoxy)silanethiol

• ChemBase ID: 130034
• Molecular Formular: C12H28O3SSi
• Molecular Mass: 280.49942
• Monoisotopic Mass: 280.15284229
• SMILES: CC(C)(C)O[Si](S)(OC(C)(C)C)OC(C)(C)C
• Canonical SMILES: CC(O[Si](OC(C)(C)C)(OC(C)(C)C)S)(C)C
• InChI: InChI=1S/C12H28O3SSi/c1-10(2,3)13-17(16,14-11(4,5)6)15-12(7,8)9/h16H,1-9H3
• InChIKey: ZVUGYOCGLCLJAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(tert-butoxy)silanethiol
• IUPAC Traditional name: tris(tert-butoxy)silanethiol
• Synonyms: Tri(tert-butoxy)silanethiol; Tris(tert-butoxy)silanethiol

Database IDs

• CAS Number: 690-52-8
• PubChem SID: 162224319
• PubChem CID: 5246420
• Chemspider ID: 4414610
• Wikipedia Title: Tris(tert-butoxy)silanethiol

CALCULATED PROPERTIES

• Acid pKa: 9.48107
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0212564
• LogD (pH = 7.4): 3.0178478
• Log P: 3.0213
• Molar Refractivity: 69.1133 cm^3
• Polarizability: 30.923733 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless liquid
• Boiling Point: 113 - 115°C (at 35 mmHg)