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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
Synonym
3,16-Dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane, 4,4,15,15-tetraethoxy-
Synonym
4,4,15,15-Tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane
Synonym
Si 69
Synonym
Bis[3-(triethoxysilyl)propyl] tetrasulfide
Synonym
Si 29
Synonym
B 2494
Synonym
3,3′-Bis(triethoxysilylpropyl) tetrasulfide
Synonym
Bis(3-triethoxysilylpropyl)tetrasulfane
Synonym
Unisilan 41
Synonym
Silquest A 1289
Synonym
KH 846
Synonym
Bis[γ-(triethoxysilyl)propyl] tetrasulfide
Synonym
MB 69
Synonym
A 1289
Synonym
Silane 69
Synonym
EF 60
Synonym
EF 60 (coupling agent)
Synonym
Degussa Si 69
Synonym
SCA 98
Synonym
SIB 1825.0
Synonym
TM 69
Synonym
Cabrus 4
Synonym
KBE 849
Synonym
KBE 846
Synonym
Z 6940
Synonym
TESPT
Synonym
WD 40
Synonym
WD 40 (coupling agent)
Synonym
KH 845-4
Synonym
KBE 845
Synonym
DB 619
Synonym
Xiameter Z 6940
Synonym
KH 845-4-2
Synonym
Bis[triethoxysilylpropyl] tetrasulfide
Synonym
KH 858
Synonym
KBM 846
Synonym
KBE 864
Synonym
Luvomaxx TESPT
Synonym
Couplink 89
Synonym
Bis(triethoxysilylpropyl)tetrasulfane
Synonym
SG-Si 998
Synonym
HP 1898B
Synonym
BTES
Synonym
Bis(3-(ethoxysilyl)propyl)tetrasulfide
Synonym
OFS 6940
Synonym
Xiameter OFS 6940
Synonym
Bis(3-triethoxisilylpropyl)tetrasulfide
Synonym
B 803049
Synonym
BTSPS
Synonym
KH 69
Synonym
KH-Si 69
Synonym
Silanogran SI 69
Synonym
OFS 6945
Synonym
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 |