1,2,2-triethoxy-1-silylpropane-1-thiol

C9H22O3SSi — CID 173082949

IUPAC1,2,2-triethoxy-1-silylpropane-1-thiol
SMILESCCOC([SiH3])(S)C(C)(OCC)OCC
InChIInChI=1S/C9H22O3SSi/c1-5-10-8(4,11-6-2)9(13,14)12-7-3/h13H,5-7H2,1-4,14H3
InChIKeyFXJBKZOZQAAYPT-UHFFFAOYSA-N
MW238.42 g/mol
LogP0.76
Rot. Bonds7

About 1,2,2-triethoxy-1-silylpropane-1-thiol

1,2,2-triethoxy-1-silylpropane-1-thiol (PubChem CID 173082949) has the molecular formula C9H22O3SSi and a molecular weight of 238.42 g/mol. Its IUPAC name is 1,2,2-triethoxy-1-silylpropane-1-thiol.

Molecular Properties

Compound Name1,2,2-triethoxy-1-silylpropane-1-thiol
PubChem CID173082949
Molecular FormulaC9H22O3SSi
Molecular Weight238.42 g/mol
Exact Mass238.11
IUPAC Name1,2,2-triethoxy-1-silylpropane-1-thiol
SMILESCCOC([SiH3])(S)C(C)(OCC)OCC
InChIInChI=1S/C9H22O3SSi/c1-5-10-8(4,11-6-2)9(13,14)12-7-3/h13H,5-7H2,1-4,14H3
InChIKeyFXJBKZOZQAAYPT-UHFFFAOYSA-N
XLogP0.76
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

1,2,2-triethoxy-1-silylpropan-1-amine
CID 173454722
1-ethoxy-1-silylpropane-1-thiol
CID 175542584
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2-(1,1-diethoxyethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 87439986
(4-ethoxy-2,2,6,6-tetramethylheptan-4-yl)silane
CID 123938104
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
3-ethoxy-3-ethyl-2,2-dimethylpentane
CID 174477708
2-ethoxypropan-2-yloxysilane
CID 173032012
2-ethoxyhexan-2-ylsilane
CID 150368773
2,2,5,5-tetraethoxyhexane
CID 42611383

Frequently Asked Questions

What is the IUPAC name of 1,2,2-triethoxy-1-silylpropane-1-thiol?
The IUPAC name of 1,2,2-triethoxy-1-silylpropane-1-thiol (CID 173082949) is 1,2,2-triethoxy-1-silylpropane-1-thiol.
What is the SMILES notation for 1,2,2-triethoxy-1-silylpropane-1-thiol?
The canonical SMILES for 1,2,2-triethoxy-1-silylpropane-1-thiol is CCOC([SiH3])(S)C(C)(OCC)OCC.
What is the InChIKey of 1,2,2-triethoxy-1-silylpropane-1-thiol?
The InChIKey is FXJBKZOZQAAYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3SSi/c1-5-10-8(4,11-6-2)9(13,14)12-7-3/h13H,5-7H2,1-4,14H3.
What are the key properties of 1,2,2-triethoxy-1-silylpropane-1-thiol?
1,2,2-triethoxy-1-silylpropane-1-thiol has a molecular weight of 238.42 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-triethoxy-1-silylpropane-1-thiol is sourced from PubChem (CID 173082949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).