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(3-Mercaptopropyl)Trimethoxysilane
CAS: 4420-74-0 | C6H16O3SSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4420-74-0
Molecular Formula:
C6H16O3SSi
Molecular Weight:
196.344 g/mol
Names and Synonyms:
(3-Mercaptopropyl)Trimethoxysilane
1-Propanethiol, 3-(trimethoxysilyl)-
3-(Trimethoxysilyl)-1-propanethiol
(γ-Mercaptopropyl)trimethoxysilane
A 189
(3-Mercaptopropyl)trimethoxysilane
3-(Trimethoxysilyl)propanethiol
Z 6062
Silane A 189
NUC-A 189
SH 6062
KBM 803
MPS-M
M 8500
KBE 803
Sila-Ace S 810
TSL 8380
Prosil 196
(3-Thiopropyl)trimethoxysilane
GF 70
3-(Trimethoxysilyl)propyl mercaptan
TSL 8380E
MPS
AZ 6129
Silquest A 189
KBM 803P
3-(Sulfanylpropyl)trimethoxysilane
Silan GF 70
M 8500 (coupling agent)
3-Mercaptopropyl trimethoxylsilane
Dynasylan MTMO
Dynasylan NTNS
VP-Si 163
3-MPTMS
A 160
A 160 (coupling agent)
KH 590
LS 1390
S 810
SIM 6476.0
MPTS
SiSiB PC 2300
MPTMS
WD 80
SCA 903
M 0928
Silanogran M
LMD 80
A 183 (coupling agent)
A 183
Silquest A 160
DB 590
KH 591
γ-Thiolpropyltrimethoxysilane
Trimethoxy-3-mercaptopropylsilane
Silanil 442
JH-S 189
Mercaptan Y
Identifiers:
SMILES:
CO[Si](CCCS)(OC)OC
InChI:
InChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 196.34 g/mol | Legacy Database |
| density | 1.05 g/cm³ | Legacy Database |
| cas-boiling-point | 93 °C @ Press: 40 Torr None | Legacy Database |
| cas-canonical-smile | SCCC[Si](OC)(OC)OC None | Legacy Database |
| cas-density | 1.051 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UUEWCQRISZBELL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (3-Mercaptopropyl)trimethoxysilane None | Legacy Database |
| LogP | 1.1844 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 196.344 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 196.058941902 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 27.69 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 50.058000000000035 | RDKit |
