4-triethoxysilylbutane-1-thiol

C10H24O3SSi — CID 18358453

IUPAC4-triethoxysilylbutane-1-thiol
SMILESCCO[Si](CCCCS)(OCC)OCC
InChIInChI=1S/C10H24O3SSi/c1-4-11-15(12-5-2,13-6-3)10-8-7-9-14/h14H,4-10H2,1-3H3
InChIKeyRVAVYOJYNISEQK-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.74
Rot. Bonds10

About 4-triethoxysilylbutane-1-thiol

4-triethoxysilylbutane-1-thiol (PubChem CID 18358453) has the molecular formula C10H24O3SSi and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-triethoxysilylbutane-1-thiol.

Molecular Properties

Compound Name4-triethoxysilylbutane-1-thiol
PubChem CID18358453
Molecular FormulaC10H24O3SSi
Molecular Weight252.45 g/mol
Exact Mass252.12
IUPAC Name4-triethoxysilylbutane-1-thiol
SMILESCCO[Si](CCCCS)(OCC)OCC
InChIInChI=1S/C10H24O3SSi/c1-4-11-15(12-5-2,13-6-3)10-8-7-9-14/h14H,4-10H2,1-3H3
InChIKeyRVAVYOJYNISEQK-UHFFFAOYSA-N
XLogP2.74
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 4-triethoxysilylbutane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-triethoxysilylbutane-1-thiol?
The IUPAC name of 4-triethoxysilylbutane-1-thiol (CID 18358453) is 4-triethoxysilylbutane-1-thiol.
What is the SMILES notation for 4-triethoxysilylbutane-1-thiol?
The canonical SMILES for 4-triethoxysilylbutane-1-thiol is CCO[Si](CCCCS)(OCC)OCC.
What is the InChIKey of 4-triethoxysilylbutane-1-thiol?
The InChIKey is RVAVYOJYNISEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3SSi/c1-4-11-15(12-5-2,13-6-3)10-8-7-9-14/h14H,4-10H2,1-3H3.
What are the key properties of 4-triethoxysilylbutane-1-thiol?
4-triethoxysilylbutane-1-thiol has a molecular weight of 252.45 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethoxysilylbutane-1-thiol is sourced from PubChem (CID 18358453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).