2,2,7,7-tetramethyl-3,6-dithia-2,7-disilaoctane

• ChemBase ID: 106883
• Molecular Formular: C8H22S2Si2
• Molecular Mass: 238.56128
• Monoisotopic Mass: 238.07014577
• SMILES: C[Si](C)(C)SCCS[Si](C)(C)C
• Canonical SMILES: C[Si](SCCS[Si](C)(C)C)(C)C
• InChI: InChI=1S/C8H22S2Si2/c1-11(2,3)9-7-8-10-12(4,5)6/h7-8H2,1-6H3
• InChIKey: CBRFJNLREFDKBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,7,7-tetramethyl-3,6-dithia-2,7-disilaoctane
• IUPAC Traditional name: 2,2,7,7-tetramethyl-3,6-dithia-2,7-disilaoctane
• Synonyms: S,S-BIS(TRIMETHYLSILYL)1,2-ETHANEDITHIOL; 1,2-Bis(trimethylsilylthio)ethane; Ethylenedithiobis(trimethylsilane); S,S′-Bis(trimethylsilyl)-1,2-ethanedithiol; 1,2-Ethanedithiobis(trimethylsilane); 1,2-双(三甲基甲硅烷基硫代)乙烷; S,S′-二(三甲基硅烷基)-1,2-乙二硫醇; 乙烯二硫代双(三甲基硅烷); 1,2-乙烷二硫代二(三甲基硅烷)

Database IDs

• CAS Number: 51048-29-4
• EC Number: 256-935-1
• MDL Number: MFCD00042832
• Beilstein Number: 2037789
• PubChem SID: 162087239; 24845269
• PubChem CID: 101207

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3904
• LogD (pH = 7.4): 3.3904
• Log P: 3.3904
• Molar Refractivity: 60.024 cm^3
• Polarizability: 27.440172 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 93-94 °C/0.5 mmHg(lit.)
• Flash Point: 152.6 °F; 67 °C
• Density: 0.928 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.495

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0%
• Empirical Formula (Hill Notation): C8H22S2Si2

DETAILS

MP Biomedicals - 05201756

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 02380

Other Notes
Reagent used for the kinetic, regioselective thioacetalization of carbonyl compounds1,2