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Molecule
Degussa Si 69
CAS: 40372-72-3 · C18H42O6S4Si2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 40372-72-3
- Molecular Formula
- C18H42O6S4Si2
- Molecular Mass
- 538.97 g/mol
Identifiers
CAS Registry Number
40372-72-3
SMILES
CCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChI Key
VTHOKNTVYKTUPI-UHFFFAOYSA-N
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
Names and Synonyms
- Degussa Si 69 Synonym
- 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
- 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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 538.97 g/mol | CAS Common Chemistry |
| 538.9680000000004 g/mol | RDKit | |
| 538.968 g/mol | RDKit | |
| 538.94 g/mol | chempirical lib | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.10 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis(triethoxysilylpropyl)tetrasulfide | CAS Common Chemistry |
| Boiling Point | 250 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CCCSSSSCCC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=VTHOKNTVYKTUPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis[3-(triethoxysilyl)propyl] tetrasulfide | CAS Common Chemistry |
| Bis(triethoxysilylpropyl)tetrasulfide | CAS Common Chemistry | |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 23 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
| 55.38 Ų | RDKit | |
| LogP | 6.541200000000007 | RDKit |
| 6.5412 | RDKit | |
| Molar Refractivity | 140.2099999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 538.1402761239999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 538.97 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
