triethoxy-(4-methylsulfanylphenyl)silane

C13H22O3SSi — CID 11369679

IUPACtriethoxy-(4-methylsulfanylphenyl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc(SC)cc1
InChIInChI=1S/C13H22O3SSi/c1-5-14-18(15-6-2,16-7-3)13-10-8-12(17-4)9-11-13/h8-11H,5-7H2,1-4H3
InChIKeyFQTJYHRWCZPVOI-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.66
Rot. Bonds8

About triethoxy-(4-methylsulfanylphenyl)silane

triethoxy-(4-methylsulfanylphenyl)silane (PubChem CID 11369679) has the molecular formula C13H22O3SSi and a molecular weight of 286.47 g/mol. Its IUPAC name is triethoxy-(4-methylsulfanylphenyl)silane.

Molecular Properties

Compound Nametriethoxy-(4-methylsulfanylphenyl)silane
PubChem CID11369679
Molecular FormulaC13H22O3SSi
Molecular Weight286.47 g/mol
Exact Mass286.11
IUPAC Nametriethoxy-(4-methylsulfanylphenyl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc(SC)cc1
InChIInChI=1S/C13H22O3SSi/c1-5-14-18(15-6-2,16-7-3)13-10-8-12(17-4)9-11-13/h8-11H,5-7H2,1-4H3
InChIKeyFQTJYHRWCZPVOI-UHFFFAOYSA-N
XLogP2.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxy-(4-methylsulfanylphenyl)silane?
The IUPAC name of triethoxy-(4-methylsulfanylphenyl)silane (CID 11369679) is triethoxy-(4-methylsulfanylphenyl)silane.
What is the SMILES notation for triethoxy-(4-methylsulfanylphenyl)silane?
The canonical SMILES for triethoxy-(4-methylsulfanylphenyl)silane is CCO[Si](OCC)(OCC)c1ccc(SC)cc1.
What is the InChIKey of triethoxy-(4-methylsulfanylphenyl)silane?
The InChIKey is FQTJYHRWCZPVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3SSi/c1-5-14-18(15-6-2,16-7-3)13-10-8-12(17-4)9-11-13/h8-11H,5-7H2,1-4H3.
What are the key properties of triethoxy-(4-methylsulfanylphenyl)silane?
triethoxy-(4-methylsulfanylphenyl)silane has a molecular weight of 286.47 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(4-methylsulfanylphenyl)silane is sourced from PubChem (CID 11369679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).