trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol

C10H28O6SSi2 — CID 23020646

IUPACtrimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol
SMILESCO[Si](C)(OC)OC.CO[Si](CCCS)(OC)OC
InChIInChI=1S/C6H16O3SSi.C4H12O3Si/c1-7-11(8-2,9-3)6-4-5-10;1-5-8(4,6-2)7-3/h10H,4-6H2,1-3H3;1-4H3
InChIKeyZGKPZGIKZDCABI-UHFFFAOYSA-N
MW332.57 g/mol
LogP1.68
Rot. Bonds9

About trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol

trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol (PubChem CID 23020646) has the molecular formula C10H28O6SSi2 and a molecular weight of 332.57 g/mol. Its IUPAC name is trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol.

Molecular Properties

Compound Nametrimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol
PubChem CID23020646
Molecular FormulaC10H28O6SSi2
Molecular Weight332.57 g/mol
Exact Mass332.11
IUPAC Nametrimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol
SMILESCO[Si](C)(OC)OC.CO[Si](CCCS)(OC)OC
InChIInChI=1S/C6H16O3SSi.C4H12O3Si/c1-7-11(8-2,9-3)6-4-5-10;1-5-8(4,6-2)7-3/h10H,4-6H2,1-3H3;1-4H3
InChIKeyZGKPZGIKZDCABI-UHFFFAOYSA-N
XLogP1.68
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol?
The IUPAC name of trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol (CID 23020646) is trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol.
What is the SMILES notation for trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol?
The canonical SMILES for trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol is CO[Si](C)(OC)OC.CO[Si](CCCS)(OC)OC.
What is the InChIKey of trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol?
The InChIKey is ZGKPZGIKZDCABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi.C4H12O3Si/c1-7-11(8-2,9-3)6-4-5-10;1-5-8(4,6-2)7-3/h10H,4-6H2,1-3H3;1-4H3.
What are the key properties of trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol?
trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol has a molecular weight of 332.57 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol is sourced from PubChem (CID 23020646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).