3-triethoxysilylpropane-1,2-dithiol

C9H22O3S2Si — CID 22227239

IUPAC3-triethoxysilylpropane-1,2-dithiol
SMILESCCO[Si](CC(S)CS)(OCC)OCC
InChIInChI=1S/C9H22O3S2Si/c1-4-10-15(11-5-2,12-6-3)8-9(14)7-13/h9,13-14H,4-8H2,1-3H3
InChIKeyWLKFVHOIXCXRND-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.26
Rot. Bonds9

About 3-triethoxysilylpropane-1,2-dithiol

3-triethoxysilylpropane-1,2-dithiol (PubChem CID 22227239) has the molecular formula C9H22O3S2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 3-triethoxysilylpropane-1,2-dithiol.

Molecular Properties

Compound Name3-triethoxysilylpropane-1,2-dithiol
PubChem CID22227239
Molecular FormulaC9H22O3S2Si
Molecular Weight270.49 g/mol
Exact Mass270.08
IUPAC Name3-triethoxysilylpropane-1,2-dithiol
SMILESCCO[Si](CC(S)CS)(OCC)OCC
InChIInChI=1S/C9H22O3S2Si/c1-4-10-15(11-5-2,12-6-3)8-9(14)7-13/h9,13-14H,4-8H2,1-3H3
InChIKeyWLKFVHOIXCXRND-UHFFFAOYSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-triethoxysilylpropane-1,2-dithiol?
The IUPAC name of 3-triethoxysilylpropane-1,2-dithiol (CID 22227239) is 3-triethoxysilylpropane-1,2-dithiol.
What is the SMILES notation for 3-triethoxysilylpropane-1,2-dithiol?
The canonical SMILES for 3-triethoxysilylpropane-1,2-dithiol is CCO[Si](CC(S)CS)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropane-1,2-dithiol?
The InChIKey is WLKFVHOIXCXRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3S2Si/c1-4-10-15(11-5-2,12-6-3)8-9(14)7-13/h9,13-14H,4-8H2,1-3H3.
What are the key properties of 3-triethoxysilylpropane-1,2-dithiol?
3-triethoxysilylpropane-1,2-dithiol has a molecular weight of 270.49 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropane-1,2-dithiol is sourced from PubChem (CID 22227239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).