tris(propan-2-ylsulfanyl)silane

• ChemBase ID: 148061
• Molecular Formular: C9H22S3Si
• Molecular Mass: 254.55148
• Monoisotopic Mass: 254.06529024
• SMILES: CC(C)S[SiH](SC(C)C)SC(C)C
• Canonical SMILES: CC(S[SiH](SC(C)C)SC(C)C)C
• InChI: InChI=1S/C9H22S3Si/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9,13H,1-6H3
• InChIKey: BCQFIRARHXNLPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(propan-2-ylsulfanyl)silane
• IUPAC Traditional name: tris(isopropylsulfanyl)silane
• Synonyms: Tris(isopropylthio)silane; 三(异丙基硫代)硅烷

Database IDs

• CAS Number: 17891-55-3
• MDL Number: MFCD00192562
• Beilstein Number: 1748022
• PubChem SID: 24864682; 162242240
• PubChem CID: 14736450

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1014
• LogD (pH = 7.4): 3.1014
• Log P: 3.1014
• Molar Refractivity: 68.8562 cm^3
• Polarizability: 29.429121 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130 °C/6 mmHg(lit.)
• Flash Point: 118.4 °F; 48 °C
• Density: 0.986 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.523(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 23-24/25
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Grade: technical grade
• Linear Formula: [(CH3)2CHS]3SiH

DETAILS

Sigma Aldrich - 396761

Packaging
5 mL in glass bottle