[diethoxy(hydroxy)silyl]methanethiol

C5H14O3SSi — CID 23112940

IUPAC[diethoxy(hydroxy)silyl]methanethiol
SMILESCCO[Si](O)(CS)OCC
InChIInChI=1S/C5H14O3SSi/c1-3-7-10(6,5-9)8-4-2/h6,9H,3-5H2,1-2H3
InChIKeyQAFOYONDAUNCJP-UHFFFAOYSA-N
MW182.32 g/mol
LogP0.46
Rot. Bonds5

About [diethoxy(hydroxy)silyl]methanethiol

[diethoxy(hydroxy)silyl]methanethiol (PubChem CID 23112940) has the molecular formula C5H14O3SSi and a molecular weight of 182.32 g/mol. Its IUPAC name is [diethoxy(hydroxy)silyl]methanethiol.

Molecular Properties

Compound Name[diethoxy(hydroxy)silyl]methanethiol
PubChem CID23112940
Molecular FormulaC5H14O3SSi
Molecular Weight182.32 g/mol
Exact Mass182.04
IUPAC Name[diethoxy(hydroxy)silyl]methanethiol
SMILESCCO[Si](O)(CS)OCC
InChIInChI=1S/C5H14O3SSi/c1-3-7-10(6,5-9)8-4-2/h6,9H,3-5H2,1-2H3
InChIKeyQAFOYONDAUNCJP-UHFFFAOYSA-N
XLogP0.46
TPSA38.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[ethoxy(dihydroxy)silyl]ethane-1,2-dithiol
CID 140965591
ethoxy(trihydroxy)silane;phosphane
CID 174965981
magnesium;ethoxy(trihydroxy)silane;hydride
CID 174951235
ethoxy-[2-[ethoxy(dihydroxy)silyl]ethyl]-dihydroxysilane
CID 87194100
ethylmercury;silicic acid
CID 174832144
[ethoxy(dihydroxy)silyl] hypofluorite
CID 175477348
[diethoxy(methyl)silyl]methanethiol;3-[diethoxy(methyl)silyl]propyl-diethoxy-methylsilane
CID 165005930
ethoxy-dihydroxy-methylperoxysilane
CID 88811500
ethoxy-dihydroxy-propoxysilane
CID 154100786
diethoxy-hydroxy-[(3,4,5-trifluorophenyl)methyl]silane
CID 90172411
triethoxy(methyl)silane
CID 16241
ethoxy-dihydroxy-triethylsilyloxysilane
CID 54058742

Frequently Asked Questions

What is the IUPAC name of [diethoxy(hydroxy)silyl]methanethiol?
The IUPAC name of [diethoxy(hydroxy)silyl]methanethiol (CID 23112940) is [diethoxy(hydroxy)silyl]methanethiol.
What is the SMILES notation for [diethoxy(hydroxy)silyl]methanethiol?
The canonical SMILES for [diethoxy(hydroxy)silyl]methanethiol is CCO[Si](O)(CS)OCC.
What is the InChIKey of [diethoxy(hydroxy)silyl]methanethiol?
The InChIKey is QAFOYONDAUNCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O3SSi/c1-3-7-10(6,5-9)8-4-2/h6,9H,3-5H2,1-2H3.
What are the key properties of [diethoxy(hydroxy)silyl]methanethiol?
[diethoxy(hydroxy)silyl]methanethiol has a molecular weight of 182.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(hydroxy)silyl]methanethiol is sourced from PubChem (CID 23112940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).