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51048-29-4 molecular structure
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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 and InChIs

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

Cite this record

CBID:106883 http://www.chembase.cn/molecule-106883.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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)
CAS Number
51048-29-4
EC Number
256-935-1
MDL Number
MFCD00042832
Beilstein Number
2037789
PubChem SID
162087239
24845269
PubChem CID
101207

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 101207 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3904  LogD (pH = 7.4) 3.3904 
Log P 3.3904  Molar Refractivity 60.024 cm3
Polarizability 27.440172 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
93-94 °C/0.5 mmHg(lit.) expand Show data source
Flash Point
152.6 °F expand Show data source
67 °C expand Show data source
Density
0.928 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.495 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥97.0% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C8H22S2Si2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05201756 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 02380 external link
Other Notes
Reagent used for the kinetic, regioselective thioacetalization of carbonyl compounds1,2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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