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(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 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.

External Resources

All Properties

Comprehensive physical and chemical properties

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

Physical Properties

Property Value Source
LogP 1.1844 RDKit
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

Molar

Property Value Source
Molar Refractivity 50.058000000000035 RDKit

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