3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol

C17H33FO2S2Si3 — CID 21285892

IUPAC3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol
SMILESC[Si](C)(CCCS)O[Si](C)(O[Si](C)(C)CCCS)c1ccc(F)cc1
InChIInChI=1S/C17H33FO2S2Si3/c1-23(2,14-6-12-21)19-25(5,17-10-8-16(18)9-11-17)20-24(3,4)15-7-13-22/h8-11,21-22H,6-7,12-15H2,1-5H3
InChIKeyGGBFNOKQEBCXER-UHFFFAOYSA-N
MW436.84 g/mol
LogP5.19
Rot. Bonds11

About 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol

3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol (PubChem CID 21285892) has the molecular formula C17H33FO2S2Si3 and a molecular weight of 436.84 g/mol. Its IUPAC name is 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol.

Molecular Properties

Compound Name3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol
PubChem CID21285892
Molecular FormulaC17H33FO2S2Si3
Molecular Weight436.84 g/mol
Exact Mass436.12
IUPAC Name3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol
SMILESC[Si](C)(CCCS)O[Si](C)(O[Si](C)(C)CCCS)c1ccc(F)cc1
InChIInChI=1S/C17H33FO2S2Si3/c1-23(2,14-6-12-21)19-25(5,17-10-8-16(18)9-11-17)20-24(3,4)15-7-13-22/h8-11,21-22H,6-7,12-15H2,1-5H3
InChIKeyGGBFNOKQEBCXER-UHFFFAOYSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.84
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-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 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol?
The IUPAC name of 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol (CID 21285892) is 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol.
What is the SMILES notation for 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol?
The canonical SMILES for 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol is C[Si](C)(CCCS)O[Si](C)(O[Si](C)(C)CCCS)c1ccc(F)cc1.
What is the InChIKey of 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol?
The InChIKey is GGBFNOKQEBCXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FO2S2Si3/c1-23(2,14-6-12-21)19-25(5,17-10-8-16(18)9-11-17)20-24(3,4)15-7-13-22/h8-11,21-22H,6-7,12-15H2,1-5H3.
What are the key properties of 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol?
3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol has a molecular weight of 436.84 g/mol, XLogP of 5.19, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-(4-fluorophenyl)-methylsilyl]oxy-dimethylsilyl]propane-1-thiol is sourced from PubChem (CID 21285892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).