3-[diethoxy(phenyl)silyl]propane-1-thiol

C13H22O2SSi — CID 23341373

IUPAC3-[diethoxy(phenyl)silyl]propane-1-thiol
SMILESCCO[Si](CCCS)(OCC)c1ccccc1
InChIInChI=1S/C13H22O2SSi/c1-3-14-17(15-4-2,12-8-11-16)13-9-6-5-7-10-13/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3
InChIKeyNHZVXKNRDSYIIA-UHFFFAOYSA-N
MW270.47 g/mol
LogP2.73
Rot. Bonds8

About 3-[diethoxy(phenyl)silyl]propane-1-thiol

3-[diethoxy(phenyl)silyl]propane-1-thiol (PubChem CID 23341373) has the molecular formula C13H22O2SSi and a molecular weight of 270.47 g/mol. Its IUPAC name is 3-[diethoxy(phenyl)silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[diethoxy(phenyl)silyl]propane-1-thiol
PubChem CID23341373
Molecular FormulaC13H22O2SSi
Molecular Weight270.47 g/mol
Exact Mass270.11
IUPAC Name3-[diethoxy(phenyl)silyl]propane-1-thiol
SMILESCCO[Si](CCCS)(OCC)c1ccccc1
InChIInChI=1S/C13H22O2SSi/c1-3-14-17(15-4-2,12-8-11-16)13-9-6-5-7-10-13/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3
InChIKeyNHZVXKNRDSYIIA-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[diethoxy(phenyl)silyl]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

Related Compounds

diethoxy-phenyl-(3-propoxypropyl)silane
CID 141085456
3-[diethoxy(phenyl)silyl]oxypropane-1-thiol
CID 87401013
toluene;3-triethoxysilylpropane-1-thiol
CID 159252127
benzene;3-triethoxysilylpropane-1-thiol
CID 157185435
2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol
CID 153327930
3-[dichloro(phenyl)silyl]propane-1-thiol
CID 139647471
diethoxy-phenyl-sulfanylsilane
CID 141237181
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane
CID 87256321
diethoxy-(4-methylphenyl)-phenylsilane
CID 68659610
2-[diethoxy(phenyl)silyl]ethyl-ethenyl-diethylsilane
CID 59357397
diethoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane;silane
CID 157211120

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(phenyl)silyl]propane-1-thiol?
The IUPAC name of 3-[diethoxy(phenyl)silyl]propane-1-thiol (CID 23341373) is 3-[diethoxy(phenyl)silyl]propane-1-thiol.
What is the SMILES notation for 3-[diethoxy(phenyl)silyl]propane-1-thiol?
The canonical SMILES for 3-[diethoxy(phenyl)silyl]propane-1-thiol is CCO[Si](CCCS)(OCC)c1ccccc1.
What is the InChIKey of 3-[diethoxy(phenyl)silyl]propane-1-thiol?
The InChIKey is NHZVXKNRDSYIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2SSi/c1-3-14-17(15-4-2,12-8-11-16)13-9-6-5-7-10-13/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3.
What are the key properties of 3-[diethoxy(phenyl)silyl]propane-1-thiol?
3-[diethoxy(phenyl)silyl]propane-1-thiol has a molecular weight of 270.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(phenyl)silyl]propane-1-thiol is sourced from PubChem (CID 23341373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).