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(3-Thiocyanatopropyl)Triethoxysilane
CAS: 34708-08-2 | C10H21NO3SSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34708-08-2
Molecular Formula:
C10H21NO3SSi
Molecular Mass:
263.44 g/mol
Names and Synonyms:
(3-Thiocyanatopropyl)Triethoxysilane
Thiocyanic acid, 3-(triethoxysilyl)propyl ester
Triethoxy(3-thiocyanatopropyl)silane
(3-Thiocyanatopropyl)triethoxysilane
Si 264
(γ-Thiocyanatopropyl)triethoxysilane
HP 264
SIT 7908.0
(Thiocyanatopropyl)triethoxysilane
3-Triethoxysilylpropyl thiocyanate
Identifiers:
SMILES:
CCO[Si](CCCSC#N)(OCC)OCC
InChI:
InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3
Key Properties
Boiling Point
95 °C @ Press: 0.1 Torr
CAS Common Chemistry
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 | 263.44 g/mol | CAS Common Chemistry |
| 263.43499999999995 g/mol | RDKit | |
| 263.101141062 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.030 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 95 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CSCCC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HKMVWLQFAYGKSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Thiocyanatopropyl)triethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 51.480000000000004 Ų | RDKit |
| LogP | 2.6391800000000005 | RDKit |
| Molar Refractivity | 68.12700000000004 | RDKit |
