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Molecule
(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
Identifiers
CAS Registry Number
34708-08-2
SMILES
CCO[Si](CCCSC#N)(OCC)OCC
InChI Key
HKMVWLQFAYGKSI-UHFFFAOYSA-N
InChI
InChI=1S/C10H21NO3SSi/c1-4-12-16(13-5-2,14-6-3)9-7-8-15-10-11/h4-9H2,1-3H3
Names and Synonyms
- (3-Thiocyanatopropyl)Triethoxysilane Synonym
- Thiocyanic acid, 3-(triethoxysilyl)propyl ester Synonym
- Triethoxy(3-thiocyanatopropyl)silane Synonym
- (3-Thiocyanatopropyl)triethoxysilane Synonym
- Si 264 Synonym
- (γ-Thiocyanatopropyl)triethoxysilane Synonym
- HP 264 Synonym
- SIT 7908.0 Synonym
- (Thiocyanatopropyl)triethoxysilane Synonym
- 3-Triethoxysilylpropyl thiocyanate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | (3-Thiocyanatopropyl)triethoxysilane | CAS Common Chemistry |
| Molecular Mass | 263.44 g/mol | CAS Common Chemistry |
| 263.43499999999995 g/mol | RDKit | |
| 263.435 g/mol | RDKit | |
| 263.428 g/mol | chempirical lib | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.030 g/cm3 | 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 |
| 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 |
| 51.48 Ų | RDKit | |
| LogP | 2.6391800000000005 | RDKit |
| 2.6392 | RDKit | |
| Molar Refractivity | 68.12700000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 263.101141062 g/mol | RDKit |
| Boiling Point | 95 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 263.44 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
