1-triethoxysilylpropane-2-thiol

C9H22O3SSi — CID 22726056

IUPAC1-triethoxysilylpropane-2-thiol
SMILESCCO[Si](CC(C)S)(OCC)OCC
InChIInChI=1S/C9H22O3SSi/c1-5-10-14(11-6-2,12-7-3)8-9(4)13/h9,13H,5-8H2,1-4H3
InChIKeyZARCFEHBDQIZSJ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.35
Rot. Bonds8

About 1-triethoxysilylpropane-2-thiol

1-triethoxysilylpropane-2-thiol (PubChem CID 22726056) has the molecular formula C9H22O3SSi and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-triethoxysilylpropane-2-thiol.

Molecular Properties

Compound Name1-triethoxysilylpropane-2-thiol
PubChem CID22726056
Molecular FormulaC9H22O3SSi
Molecular Weight238.42 g/mol
Exact Mass238.11
IUPAC Name1-triethoxysilylpropane-2-thiol
SMILESCCO[Si](CC(C)S)(OCC)OCC
InChIInChI=1S/C9H22O3SSi/c1-5-10-14(11-6-2,12-7-3)8-9(4)13/h9,13H,5-8H2,1-4H3
InChIKeyZARCFEHBDQIZSJ-UHFFFAOYSA-N
XLogP2.35
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-triethoxysilylpropane-2-thiol?
The IUPAC name of 1-triethoxysilylpropane-2-thiol (CID 22726056) is 1-triethoxysilylpropane-2-thiol.
What is the SMILES notation for 1-triethoxysilylpropane-2-thiol?
The canonical SMILES for 1-triethoxysilylpropane-2-thiol is CCO[Si](CC(C)S)(OCC)OCC.
What is the InChIKey of 1-triethoxysilylpropane-2-thiol?
The InChIKey is ZARCFEHBDQIZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3SSi/c1-5-10-14(11-6-2,12-7-3)8-9(4)13/h9,13H,5-8H2,1-4H3.
What are the key properties of 1-triethoxysilylpropane-2-thiol?
1-triethoxysilylpropane-2-thiol has a molecular weight of 238.42 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylpropane-2-thiol is sourced from PubChem (CID 22726056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).