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Molecule
(3-Mercaptopropyl)Trimethoxysilane
CAS: 4420-74-0 · C6H16O3SSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4420-74-0
- Molecular Formula
- C6H16O3SSi
- Molecular Mass
- 196.34 g/mol
Identifiers
CAS Registry Number
4420-74-0
SMILES
CO[Si](CCCS)(OC)OC
InChI Key
UUEWCQRISZBELL-UHFFFAOYSA-N
InChI
InChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3
Names and Synonyms
- (3-Mercaptopropyl)Trimethoxysilane Synonym
- 1-Propanethiol, 3-(trimethoxysilyl)- Synonym
- 3-(Trimethoxysilyl)-1-propanethiol Synonym
- (γ-Mercaptopropyl)trimethoxysilane Synonym
- A 189 Synonym
- (3-Mercaptopropyl)trimethoxysilane Synonym
- 3-(Trimethoxysilyl)propanethiol Synonym
- Z 6062 Synonym
- Silane A 189 Synonym
- NUC-A 189 Synonym
- SH 6062 Synonym
- KBM 803 Synonym
- MPS-M Synonym
- M 8500 Synonym
- KBE 803 Synonym
- Sila-Ace S 810 Synonym
- TSL 8380 Synonym
- Prosil 196 Synonym
- (3-Thiopropyl)trimethoxysilane Synonym
- GF 70 Synonym
- 3-(Trimethoxysilyl)propyl mercaptan Synonym
- TSL 8380E Synonym
- MPS Synonym
- AZ 6129 Synonym
- Silquest A 189 Synonym
- KBM 803P Synonym
- 3-(Sulfanylpropyl)trimethoxysilane Synonym
- Silan GF 70 Synonym
- M 8500 (coupling agent) Synonym
- 3-Mercaptopropyl trimethoxylsilane Synonym
- Dynasylan MTMO Synonym
- Dynasylan NTNS Synonym
- VP-Si 163 Synonym
- 3-MPTMS Synonym
- A 160 Synonym
- A 160 (coupling agent) Synonym
- KH 590 Synonym
- LS 1390 Synonym
- S 810 Synonym
- SIM 6476.0 Synonym
- MPTS Synonym
- SiSiB PC 2300 Synonym
- MPTMS Synonym
- WD 80 Synonym
- SCA 903 Synonym
- M 0928 Synonym
- Silanogran M Synonym
- LMD 80 Synonym
- A 183 (coupling agent) Synonym
- A 183 Synonym
- Silquest A 160 Synonym
- DB 590 Synonym
- KH 591 Synonym
- γ-Thiolpropyltrimethoxysilane Synonym
- Trimethoxy-3-mercaptopropylsilane Synonym
- Silanil 442 Synonym
- JH-S 189 Synonym
- Mercaptan Y Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.34 g/mol | CAS Common Chemistry |
| 196.344 g/mol | RDKit | |
| 196.337 g/mol | chempirical lib | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.051 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | SCCC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UUEWCQRISZBELL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Mercaptopropyl)trimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.1844 | RDKit |
| Molar Refractivity | 50.058000000000035 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 196.058941902 g/mol | RDKit |
| Boiling Point | 93 °C @ 40 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 196.34 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
