4,4,15,15-tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane

• ChemBase ID: 88032
• Molecular Formular: C18H42O6S4Si2
• Molecular Mass: 538.95348
• Monoisotopic Mass: 538.14027613
• SMILES: S(CCC[Si](OCC)(OCC)OCC)SSSCCC[Si](OCC)(OCC)OCC
• Canonical SMILES: CCO[Si](OCC)(OCC)CCCSSSSCCC[Si](OCC)(OCC)OCC
• InChI: InChI=1S/C18H42O6S4Si2/c1-7-19-29(20-8-2,21-9-3)17-13-15-25-27-28-26-16-14-18-30(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3
• InChIKey: VTHOKNTVYKTUPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,15,15-tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane
• IUPAC Traditional name: 4,4,15,15-tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane
• Synonyms: 3,3′-Tetrathiobis(propyl-triethoxysilane); Bis[3-(triethoxysilyl)propyl] tetrasulfide; Bis[3-(triethoxysilyl)propyl]tetrasulfide; Bis(triethoxysilylpropyl)tetrasulphane; Bis[3-(triethoxysilyl)propyl]tetrasulfide; 3,3′-四硫双(丙基三乙氧基硅烷); 双[3-(三乙氧基甲硅烷基)丙基]四硫化物; 双[3-(三乙氧基硅)丙基]-四硫化物

Database IDs

• CAS Number: 40372-72-3
• EC Number: 254-896-5
• MDL Number: MFCD00053751
• Beilstein Number: 2062235
• PubChem SID: 162075072
• PubChem CID: 162012

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.4462
• LogD (pH = 7.4): 5.4462
• Log P: 5.4462
• Molar Refractivity: 126.0672 cm^3
• Polarizability: 56.346226 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 23
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 121°C; 250°C dec.
• Flash Point: 100 °C; 212 °F; 91°C; 91°C(196°F)
• Density: 1.07; 1.074; 1.08 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.49

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥90% (NMR); S 22.3% (typical)
• Grade: technical
• Empirical Formula (Hill Notation): C18H42O6S4Si2

DETAILS

Sigma Aldrich - 15200

Packaging
50 mL in glass bottle