tetraethyl silicate;3-triethoxysilylpropane-1-thiol

C17H42O7SSi2 — CID 87079835

IUPACtetraethyl silicate;3-triethoxysilylpropane-1-thiol
SMILESCCO[Si](CCCS)(OCC)OCC.CCO[Si](OCC)(OCC)OCC
InChIInChI=1S/C9H22O3SSi.C8H20O4Si/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;1-5-9-13(10-6-2,11-7-3)12-8-4/h13H,4-9H2,1-3H3;5-8H2,1-4H3
InChIKeyUUUBKUHOEXOTFP-UHFFFAOYSA-N
MW446.76 g/mol
LogP3.92
Rot. Bonds17

About tetraethyl silicate;3-triethoxysilylpropane-1-thiol

tetraethyl silicate;3-triethoxysilylpropane-1-thiol (PubChem CID 87079835) has the molecular formula C17H42O7SSi2 and a molecular weight of 446.76 g/mol. Its IUPAC name is tetraethyl silicate;3-triethoxysilylpropane-1-thiol.

Molecular Properties

Compound Nametetraethyl silicate;3-triethoxysilylpropane-1-thiol
PubChem CID87079835
Molecular FormulaC17H42O7SSi2
Molecular Weight446.76 g/mol
Exact Mass446.22
IUPAC Nametetraethyl silicate;3-triethoxysilylpropane-1-thiol
SMILESCCO[Si](CCCS)(OCC)OCC.CCO[Si](OCC)(OCC)OCC
InChIInChI=1S/C9H22O3SSi.C8H20O4Si/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;1-5-9-13(10-6-2,11-7-3)12-8-4/h13H,4-9H2,1-3H3;5-8H2,1-4H3
InChIKeyUUUBKUHOEXOTFP-UHFFFAOYSA-N
XLogP3.92
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze tetraethyl silicate;3-triethoxysilylpropane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetraethyl silicate;3-triethoxysilylpropane-1-thiol?
The IUPAC name of tetraethyl silicate;3-triethoxysilylpropane-1-thiol (CID 87079835) is tetraethyl silicate;3-triethoxysilylpropane-1-thiol.
What is the SMILES notation for tetraethyl silicate;3-triethoxysilylpropane-1-thiol?
The canonical SMILES for tetraethyl silicate;3-triethoxysilylpropane-1-thiol is CCO[Si](CCCS)(OCC)OCC.CCO[Si](OCC)(OCC)OCC.
What is the InChIKey of tetraethyl silicate;3-triethoxysilylpropane-1-thiol?
The InChIKey is UUUBKUHOEXOTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3SSi.C8H20O4Si/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;1-5-9-13(10-6-2,11-7-3)12-8-4/h13H,4-9H2,1-3H3;5-8H2,1-4H3.
What are the key properties of tetraethyl silicate;3-triethoxysilylpropane-1-thiol?
tetraethyl silicate;3-triethoxysilylpropane-1-thiol has a molecular weight of 446.76 g/mol, XLogP of 3.92, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl silicate;3-triethoxysilylpropane-1-thiol is sourced from PubChem (CID 87079835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).