3-trimethoxysilylpropanethial

C6H14O3SSi — CID 19347776

IUPAC3-trimethoxysilylpropanethial
SMILESCO[Si](CCC=S)(OC)OC
InChIInChI=1S/C6H14O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h5H,4,6H2,1-3H3
InChIKeyASDRZNIDMLYYPQ-UHFFFAOYSA-N
MW194.33 g/mol
LogP1.25
Rot. Bonds6

About 3-trimethoxysilylpropanethial

3-trimethoxysilylpropanethial (PubChem CID 19347776) has the molecular formula C6H14O3SSi and a molecular weight of 194.33 g/mol. Its IUPAC name is 3-trimethoxysilylpropanethial.

Molecular Properties

Compound Name3-trimethoxysilylpropanethial
PubChem CID19347776
Molecular FormulaC6H14O3SSi
Molecular Weight194.33 g/mol
Exact Mass194.04
IUPAC Name3-trimethoxysilylpropanethial
SMILESCO[Si](CCC=S)(OC)OC
InChIInChI=1S/C6H14O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h5H,4,6H2,1-3H3
InChIKeyASDRZNIDMLYYPQ-UHFFFAOYSA-N
XLogP1.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropanethial?
The IUPAC name of 3-trimethoxysilylpropanethial (CID 19347776) is 3-trimethoxysilylpropanethial.
What is the SMILES notation for 3-trimethoxysilylpropanethial?
The canonical SMILES for 3-trimethoxysilylpropanethial is CO[Si](CCC=S)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropanethial?
The InChIKey is ASDRZNIDMLYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h5H,4,6H2,1-3H3.
What are the key properties of 3-trimethoxysilylpropanethial?
3-trimethoxysilylpropanethial has a molecular weight of 194.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropanethial is sourced from PubChem (CID 19347776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).