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Bis(Triethoxysilylpropyl)Tetrasulfide
CAS: 40372-72-3 | C18H42O6S4Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
40372-72-3
Molecular Formula:
C18H42O6S4Si2
Molecular Weight:
538.9680000000004 g/mol
Names and Synonyms:
Bis(Triethoxysilylpropyl)Tetrasulfide
3,16-Dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane, 4,4,15,15-tetraethoxy-
4,4,15,15-Tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane
Si 69
Bis[3-(triethoxysilyl)propyl] tetrasulfide
Si 29
B 2494
3,3′-Bis(triethoxysilylpropyl) tetrasulfide
Bis(3-triethoxysilylpropyl)tetrasulfane
Unisilan 41
Silquest A 1289
KH 846
Bis[γ-(triethoxysilyl)propyl] tetrasulfide
MB 69
A 1289
Silane 69
EF 60
EF 60 (coupling agent)
Degussa Si 69
SCA 98
SIB 1825.0
TM 69
Cabrus 4
KBE 849
KBE 846
Z 6940
TESPT
WD 40
WD 40 (coupling agent)
KH 845-4
KBE 845
DB 619
Xiameter Z 6940
KH 845-4-2
Bis[triethoxysilylpropyl] tetrasulfide
KH 858
KBM 846
KBE 864
Luvomaxx TESPT
Couplink 89
Bis(triethoxysilylpropyl)tetrasulfane
SG-Si 998
HP 1898B
BTES
Bis(3-(ethoxysilyl)propyl)tetrasulfide
OFS 6940
Xiameter OFS 6940
Bis(3-triethoxisilylpropyl)tetrasulfide
B 803049
BTSPS
KH 69
KH-Si 69
Silanogran SI 69
OFS 6945
Identifiers:
SMILES:
CCO[Si](CCCSSSSCCC[Si](OCC)(OCC)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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 538.9680000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 538.1402761239999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 30 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 10 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 23 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 6.541200000000007 | RDKit |
| molecular_mass | 538.97 g/mol | Legacy Database |
| density | 1.10 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Bis(triethoxysilylpropyl)tetrasulfide None | Legacy Database |
| cas-boiling-point | 250 °C None | Legacy Database |
| cas-canonical-smile | O(CC)[Si](OCC)(OCC)CCCSSSSCCC[Si](OCC)(OCC)OCC None | Legacy Database |
| cas-density | 1.10 g/cm3 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=VTHOKNTVYKTUPI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Bis[3-(triethoxysilyl)propyl] tetrasulfide None | Legacy Database |
| wikipedia-name | Bis(triethoxysilylpropyl)tetrasulfide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 140.2099999999999 | RDKit |
