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(3-Mercaptopropyl)Triethoxysilane
CAS: 14814-09-6 | C9H22O3SSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14814-09-6
Molecular Formula:
C9H22O3SSi
Molecular Mass:
238.43 g/mol
Names and Synonyms:
(3-Mercaptopropyl)Triethoxysilane
1-Propanethiol, 3-(triethoxysilyl)-
3-(Triethoxysilyl)-1-propanethiol
(γ-Mercaptopropyl)triethoxysilane
3-(Triethoxysilyl)propyl mercaptan
(3-Mercaptopropyl)triethoxysilane
Triethoxy(3-mercaptopropyl)silane
Dynasylan 3201
Silquest A 1891
A 1891
VP-Si 263
HD 113
KH 580
Si 263
DB 580
MPTES
(3-Thiopropyl)triethoxysilane
LMD 81
JH-S 1891
Z 6910
M 1505
Identifiers:
SMILES:
CCO[Si](CCCS)(OCC)OCC
InChI:
InChI=1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3
Key Properties
Boiling Point
210 °C
CAS Common Chemistry
Density
0.93 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 | 238.43 g/mol | CAS Common Chemistry |
| 238.42499999999995 g/mol | RDKit | |
| 238.105892094 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.932 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 210 °C | CAS Common Chemistry |
| Canonical SMILES | SCCC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DCQBZYNUSLHVJC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Mercaptopropyl)triethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.3547000000000002 | RDKit |
| Molar Refractivity | 63.90900000000005 | RDKit |
