3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane

C15H38O5SSi2 — CID 88614402

IUPAC3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane
SMILESCCC[Si](OCC)(OCC)OCC.CO[Si](C)(CCCS)OC
InChIInChI=1S/C9H22O3Si.C6H16O2SSi/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-7-10(3,8-2)6-4-5-9/h5-9H2,1-4H3;9H,4-6H2,1-3H3
InChIKeyHSWXLNDEEACMCF-UHFFFAOYSA-N
MW386.70 g/mol
LogP4.12
Rot. Bonds13

About 3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane

3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane (PubChem CID 88614402) has the molecular formula C15H38O5SSi2 and a molecular weight of 386.70 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane
PubChem CID88614402
Molecular FormulaC15H38O5SSi2
Molecular Weight386.70 g/mol
Exact Mass386.20
IUPAC Name3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane
SMILESCCC[Si](OCC)(OCC)OCC.CO[Si](C)(CCCS)OC
InChIInChI=1S/C9H22O3Si.C6H16O2SSi/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-7-10(3,8-2)6-4-5-9/h5-9H2,1-4H3;9H,4-6H2,1-3H3
InChIKeyHSWXLNDEEACMCF-UHFFFAOYSA-N
XLogP4.12
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.70
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

azane;3-triethoxysilylpropane-1-thiol
CID 174882567
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
benzene;3-triethoxysilylpropane-1-thiol
CID 157185435
7-[dimethoxy(methyl)silyl]heptane-1-thiol
CID 151105350
6-[dimethoxy(methyl)silyl]hexane-1-thiol
CID 158410124
29-triethoxysilylnonacosane-1-thiol
CID 87683851
20-triethoxysilylicosane-1-thiol
CID 87684173
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
triethoxy(propyl)silane;trimethoxysilane
CID 159942236
triethoxy(propyl)silane;trimethyl(trimethylsilyloxy)silane
CID 10090451
CID 175896662
CID 175896662
N-methylmethanamine;triethoxy(propyl)silane
CID 22145973

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane (CID 88614402) is 3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane is CCC[Si](OCC)(OCC)OCC.CO[Si](C)(CCCS)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane?
The InChIKey is HSWXLNDEEACMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si.C6H16O2SSi/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-7-10(3,8-2)6-4-5-9/h5-9H2,1-4H3;9H,4-6H2,1-3H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane?
3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane has a molecular weight of 386.70 g/mol, XLogP of 4.12, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane is sourced from PubChem (CID 88614402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).