tris(propan-2-yl)silanethiol

• ChemBase ID: 145406
• Molecular Formular: C9H22SSi
• Molecular Mass: 190.42148
• Monoisotopic Mass: 190.12114824
• SMILES: CC(C)[Si](C(C)C)(C(C)C)S
• Canonical SMILES: CC([Si](C(C)C)(C(C)C)S)C
• InChI: InChI=1S/C9H22SSi/c1-7(2)11(10,8(3)4)9(5)6/h7-10H,1-6H3
• InChIKey: CPKHFNMJTBLKLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-yl)silanethiol
• IUPAC Traditional name: triisopropylsilanethiol
• Synonyms: Triisopropylsilanethiol; 三异丙基硅烷硫醇

Database IDs

• CAS Number: 156275-96-6
• MDL Number: MFCD00216593
• PubChem SID: 162239612; 24866902
• PubChem CID: 3435097

CALCULATED PROPERTIES

• Acid pKa: 10.296333
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 3.8346934
• LogD (pH = 7.4): 3.8341699
• Log P: 3.8347
• Molar Refractivity: 51.2315 cm^3
• Polarizability: 23.307821 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-75 °C/2 mmHg(lit.)
• Flash Point: 170.6 °F; 77 °C
• Density: 0.887 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.479(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

Product Information

• Purity: 97%
• Linear Formula: [(CH3)2CH]3SiSH

DETAILS

Sigma Aldrich - 429937

Packaging
1, 5 g in glass bottle