1-(3-trimethoxysilylpropyl)imidazolidine-2-thione

C9H20N2O3SSi — CID 14513071

IUPAC1-(3-trimethoxysilylpropyl)imidazolidine-2-thione
SMILESCO[Si](CCCN1CCNC1=S)(OC)OC
InChIInChI=1S/C9H20N2O3SSi/c1-12-16(13-2,14-3)8-4-6-11-7-5-10-9(11)15/h4-8H2,1-3H3,(H,10,15)
InChIKeyDBBXPNOUDKEZFK-UHFFFAOYSA-N
MW264.42 g/mol
LogP0.44
Rot. Bonds7

About 1-(3-trimethoxysilylpropyl)imidazolidine-2-thione

1-(3-trimethoxysilylpropyl)imidazolidine-2-thione (PubChem CID 14513071) has the molecular formula C9H20N2O3SSi and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(3-trimethoxysilylpropyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(3-trimethoxysilylpropyl)imidazolidine-2-thione
PubChem CID14513071
Molecular FormulaC9H20N2O3SSi
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name1-(3-trimethoxysilylpropyl)imidazolidine-2-thione
SMILESCO[Si](CCCN1CCNC1=S)(OC)OC
InChIInChI=1S/C9H20N2O3SSi/c1-12-16(13-2,14-3)8-4-6-11-7-5-10-9(11)15/h4-8H2,1-3H3,(H,10,15)
InChIKeyDBBXPNOUDKEZFK-UHFFFAOYSA-N
XLogP0.44
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 50.44
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-(3-trimethoxysilylpropyl)imidazolidine-2-thione?
The IUPAC name of 1-(3-trimethoxysilylpropyl)imidazolidine-2-thione (CID 14513071) is 1-(3-trimethoxysilylpropyl)imidazolidine-2-thione.
What is the SMILES notation for 1-(3-trimethoxysilylpropyl)imidazolidine-2-thione?
The canonical SMILES for 1-(3-trimethoxysilylpropyl)imidazolidine-2-thione is CO[Si](CCCN1CCNC1=S)(OC)OC.
What is the InChIKey of 1-(3-trimethoxysilylpropyl)imidazolidine-2-thione?
The InChIKey is DBBXPNOUDKEZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3SSi/c1-12-16(13-2,14-3)8-4-6-11-7-5-10-9(11)15/h4-8H2,1-3H3,(H,10,15).
What are the key properties of 1-(3-trimethoxysilylpropyl)imidazolidine-2-thione?
1-(3-trimethoxysilylpropyl)imidazolidine-2-thione has a molecular weight of 264.42 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-trimethoxysilylpropyl)imidazolidine-2-thione is sourced from PubChem (CID 14513071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).