2-(diethoxymethylsilyl)ethanethiol

C7H18O2SSi — CID 71332101

IUPAC2-(diethoxymethylsilyl)ethanethiol
SMILESCCOC(OCC)[SiH2]CCS
InChIInChI=1S/C7H18O2SSi/c1-3-8-7(9-4-2)11-6-5-10/h7,10H,3-6,11H2,1-2H3
InChIKeyPMKKPOXYIBPAIB-UHFFFAOYSA-N
MW194.37 g/mol
LogP0.86
Rot. Bonds7

About 2-(diethoxymethylsilyl)ethanethiol

2-(diethoxymethylsilyl)ethanethiol (PubChem CID 71332101) has the molecular formula C7H18O2SSi and a molecular weight of 194.37 g/mol. Its IUPAC name is 2-(diethoxymethylsilyl)ethanethiol.

Molecular Properties

Compound Name2-(diethoxymethylsilyl)ethanethiol
PubChem CID71332101
Molecular FormulaC7H18O2SSi
Molecular Weight194.37 g/mol
Exact Mass194.08
IUPAC Name2-(diethoxymethylsilyl)ethanethiol
SMILESCCOC(OCC)[SiH2]CCS
InChIInChI=1S/C7H18O2SSi/c1-3-8-7(9-4-2)11-6-5-10/h7,10H,3-6,11H2,1-2H3
InChIKeyPMKKPOXYIBPAIB-UHFFFAOYSA-N
XLogP0.86
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethylsilyl)ethanethiol?
The IUPAC name of 2-(diethoxymethylsilyl)ethanethiol (CID 71332101) is 2-(diethoxymethylsilyl)ethanethiol.
What is the SMILES notation for 2-(diethoxymethylsilyl)ethanethiol?
The canonical SMILES for 2-(diethoxymethylsilyl)ethanethiol is CCOC(OCC)[SiH2]CCS.
What is the InChIKey of 2-(diethoxymethylsilyl)ethanethiol?
The InChIKey is PMKKPOXYIBPAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O2SSi/c1-3-8-7(9-4-2)11-6-5-10/h7,10H,3-6,11H2,1-2H3.
What are the key properties of 2-(diethoxymethylsilyl)ethanethiol?
2-(diethoxymethylsilyl)ethanethiol has a molecular weight of 194.37 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethylsilyl)ethanethiol is sourced from PubChem (CID 71332101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).