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4,4,13,13-Tetraethoxy-3,14-Dioxa-8,9-Dithia-4,13-Disilahexadecane
CAS: 56706-10-6 | C18H42O6S2Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56706-10-6
Molecular Formula:
C18H42O6S2Si2
Molecular Mass:
474.83 g/mol
Names and Synonyms:
4,4,13,13-Tetraethoxy-3,14-Dioxa-8,9-Dithia-4,13-Disilahexadecane
3,14-Dioxa-8,9-dithia-4,13-disilahexadecane, 4,4,13,13-tetraethoxy-
4,4,13,13-Tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane
Bis[3-(triethoxysilyl)propyl] disulfide
3,3′-Bis(triethoxysilylpropyl) disulfide
Si 266
Si 75 (sulfide)
Si 75
Silquest A 1589
A 1589
Degussa Si 75
SCA 985
KBE 886B
Cabrus 2A
Si 266/2
SIB 1824.6
Bis[γ-(triethoxysilyl)propyl] disulfide
Struktol 985
Irusil S 175
Z 6820
CF 4289
Bis-(triethoxysilylpropyl)disulfane
Struktol SCA 985
SG-Si 996
X 75S
HP 1589
OFS 6920
Xiameter OFS 6920
Luvomaxx TESPD
Identifiers:
SMILES:
CCO[Si](CCCSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChI:
InChI=1S/C18H42O6S2Si2/c1-7-19-27(20-8-2,21-9-3)17-13-15-25-26-16-14-18-28(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3
Key Properties
Density
1.03 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 474.83 g/mol | CAS Common Chemistry |
| 474.8340000000004 g/mol | RDKit | |
| 474.1961341239999 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CCCSSCCC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H42O6S2Si2/c1-7-19-27(20-8-2,21-9-3)17-13-15-25-26-16-14-18-28(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FBBATURSCRIBHN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4,13,13-Tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
| LogP | 5.244800000000006 | RDKit |
| Molar Refractivity | 125.02800000000008 | RDKit |
