1-(1-triethoxysilylpropyl)imidazolidine-2-thione

C12H26N2O3SSi — CID 88615024

IUPAC1-(1-triethoxysilylpropyl)imidazolidine-2-thione
SMILESCCO[Si](OCC)(OCC)C(CC)N1CCNC1=S
InChIInChI=1S/C12H26N2O3SSi/c1-5-11(14-10-9-13-12(14)18)19(15-6-2,16-7-3)17-8-4/h11H,5-10H2,1-4H3,(H,13,18)
InChIKeyDZOSFSCAVBJHCN-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.54
Rot. Bonds9

About 1-(1-triethoxysilylpropyl)imidazolidine-2-thione

1-(1-triethoxysilylpropyl)imidazolidine-2-thione (PubChem CID 88615024) has the molecular formula C12H26N2O3SSi and a molecular weight of 306.50 g/mol. Its IUPAC name is 1-(1-triethoxysilylpropyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(1-triethoxysilylpropyl)imidazolidine-2-thione
PubChem CID88615024
Molecular FormulaC12H26N2O3SSi
Molecular Weight306.50 g/mol
Exact Mass306.14
IUPAC Name1-(1-triethoxysilylpropyl)imidazolidine-2-thione
SMILESCCO[Si](OCC)(OCC)C(CC)N1CCNC1=S
InChIInChI=1S/C12H26N2O3SSi/c1-5-11(14-10-9-13-12(14)18)19(15-6-2,16-7-3)17-8-4/h11H,5-10H2,1-4H3,(H,13,18)
InChIKeyDZOSFSCAVBJHCN-UHFFFAOYSA-N
XLogP1.54
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-triethoxysilylpropyl)imidazolidine-2-thione?
The IUPAC name of 1-(1-triethoxysilylpropyl)imidazolidine-2-thione (CID 88615024) is 1-(1-triethoxysilylpropyl)imidazolidine-2-thione.
What is the SMILES notation for 1-(1-triethoxysilylpropyl)imidazolidine-2-thione?
The canonical SMILES for 1-(1-triethoxysilylpropyl)imidazolidine-2-thione is CCO[Si](OCC)(OCC)C(CC)N1CCNC1=S.
What is the InChIKey of 1-(1-triethoxysilylpropyl)imidazolidine-2-thione?
The InChIKey is DZOSFSCAVBJHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3SSi/c1-5-11(14-10-9-13-12(14)18)19(15-6-2,16-7-3)17-8-4/h11H,5-10H2,1-4H3,(H,13,18).
What are the key properties of 1-(1-triethoxysilylpropyl)imidazolidine-2-thione?
1-(1-triethoxysilylpropyl)imidazolidine-2-thione has a molecular weight of 306.50 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-triethoxysilylpropyl)imidazolidine-2-thione is sourced from PubChem (CID 88615024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).