O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate

C9H20O3SSi — CID 57259196

IUPACO-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate
SMILESCCO[Si](C)(CCOC(C)=S)OCC
InChIInChI=1S/C9H20O3SSi/c1-5-11-14(4,12-6-2)8-7-10-9(3)13/h5-8H2,1-4H3
InChIKeyXLHROWYJKQZJBU-UHFFFAOYSA-N
MW236.41 g/mol
LogP2.50
Rot. Bonds7

About O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate

O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate (PubChem CID 57259196) has the molecular formula C9H20O3SSi and a molecular weight of 236.41 g/mol. Its IUPAC name is O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate.

Molecular Properties

Compound NameO-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate
PubChem CID57259196
Molecular FormulaC9H20O3SSi
Molecular Weight236.41 g/mol
Exact Mass236.09
IUPAC NameO-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate
SMILESCCO[Si](C)(CCOC(C)=S)OCC
InChIInChI=1S/C9H20O3SSi/c1-5-11-14(4,12-6-2)8-7-10-9(3)13/h5-8H2,1-4H3
InChIKeyXLHROWYJKQZJBU-UHFFFAOYSA-N
XLogP2.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
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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Related Compounds

[acetyloxy-(2-ethanethioyloxyethyl)-methylsilyl] acetate
CID 57169176
O-[2-[methoxy(dimethyl)silyl]ethyl] ethanethioate
CID 86585691
bis[3-[diethoxy(methyl)silyl]propyl] carbonate
CID 54561598
potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride
CID 173116192
O-(3-ethanethioyloxypropyl) ethanethioate
CID 15121040
3-[diethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;tetraethyl silicate
CID 87080022
[diethoxy(methyl)silyl]methyl-diethoxy-methylsilane
CID 13131406
O-tridecyl ethanethioate
CID 140979354
diethoxy-methyl-undecylsilane
CID 140884401
dimethoxy-methyl-(2-prop-1-en-2-yloxyethyl)silane
CID 87181274
2-[3-[2-[diethoxy(methyl)silyl]ethyl]oxiran-2-yl]ethyl-diethoxy-methylsilane
CID 139997357
diethoxy-methyl-(2-trimethylsilylsulfanylethyl)silane
CID 88867782

Frequently Asked Questions

What is the IUPAC name of O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate?
The IUPAC name of O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate (CID 57259196) is O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate.
What is the SMILES notation for O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate?
The canonical SMILES for O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate is CCO[Si](C)(CCOC(C)=S)OCC.
What is the InChIKey of O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate?
The InChIKey is XLHROWYJKQZJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3SSi/c1-5-11-14(4,12-6-2)8-7-10-9(3)13/h5-8H2,1-4H3.
What are the key properties of O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate?
O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate has a molecular weight of 236.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate is sourced from PubChem (CID 57259196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).