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Molecule
(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
Identifiers
CAS Registry Number
14814-09-6
SMILES
CCO[Si](CCCS)(OCC)OCC
InChI Key
DCQBZYNUSLHVJC-UHFFFAOYSA-N
InChI
InChI=1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3
Names and Synonyms
- (3-Mercaptopropyl)Triethoxysilane Common Name
- 1-Propanethiol, 3-(triethoxysilyl)- Synonym
- 3-(Triethoxysilyl)-1-propanethiol Synonym
- (γ-Mercaptopropyl)triethoxysilane Synonym
- 3-(Triethoxysilyl)propyl mercaptan Synonym
- (3-Mercaptopropyl)triethoxysilane Synonym
- Triethoxy(3-mercaptopropyl)silane Synonym
- Dynasylan 3201 Synonym
- Silquest A 1891 Synonym
- A 1891 Synonym
- VP-Si 263 Synonym
- HD 113 Synonym
- KH 580 Synonym
- Si 263 Synonym
- DB 580 Synonym
- MPTES Synonym
- (3-Thiopropyl)triethoxysilane Synonym
- LMD 81 Synonym
- JH-S 1891 Synonym
- Z 6910 Synonym
- M 1505 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 238.43 g/mol | CAS Common Chemistry |
| 238.42499999999995 g/mol | RDKit | |
| 238.425 g/mol | RDKit | |
| 238.418 g/mol | chempirical lib | |
| 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 |
| 2.3547 | RDKit | |
| Molar Refractivity | 63.90900000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 238.105892094 g/mol | RDKit |
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 |
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200 ppm
180
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0 ppm
| 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 = 238.43 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
