3-Mercaptopropylethoxysilane

C5H12OSSi — CID 18432051

IUPAC—
SMILESCCO[Si]CCCS
InChIInChI=1S/C5H12OSSi/c1-2-6-8-5-3-4-7/h7H,2-5H2,1H3
InChIKeyGWVFWIWDENZZML-UHFFFAOYSA-N
MW148.30 g/mol
LogP1.38
Rot. Bonds5

About 3-Mercaptopropylethoxysilane

3-Mercaptopropylethoxysilane (PubChem CID 18432051) has the molecular formula C5H12OSSi and a molecular weight of 148.30 g/mol.

Molecular Properties

Compound Name3-Mercaptopropylethoxysilane
PubChem CID18432051
Molecular FormulaC5H12OSSi
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name—
SMILESCCO[Si]CCCS
InChIInChI=1S/C5H12OSSi/c1-2-6-8-5-3-4-7/h7H,2-5H2,1H3
InChIKeyGWVFWIWDENZZML-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-Mercaptopropylethoxysilane?
The IUPAC name of 3-Mercaptopropylethoxysilane (CID 18432051) is not available.
What is the SMILES notation for 3-Mercaptopropylethoxysilane?
The canonical SMILES for 3-Mercaptopropylethoxysilane is CCO[Si]CCCS.
What is the InChIKey of 3-Mercaptopropylethoxysilane?
The InChIKey is GWVFWIWDENZZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OSSi/c1-2-6-8-5-3-4-7/h7H,2-5H2,1H3.
What are the key properties of 3-Mercaptopropylethoxysilane?
3-Mercaptopropylethoxysilane has a molecular weight of 148.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Mercaptopropylethoxysilane is sourced from PubChem (CID 18432051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).