benzene;3-triethoxysilylpropane-1-thiol

C15H28O3SSi — CID 157185435

IUPACbenzene;3-triethoxysilylpropane-1-thiol
SMILESCCO[Si](CCCS)(OCC)OCC.c1ccccc1
InChIInChI=1S/C9H22O3SSi.C6H6/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;1-2-4-6-5-3-1/h13H,4-9H2,1-3H3;1-6H
InChIKeyAPBIRKHLJFLPLD-UHFFFAOYSA-N
MW316.54 g/mol
LogP4.04
Rot. Bonds9

About benzene;3-triethoxysilylpropane-1-thiol

benzene;3-triethoxysilylpropane-1-thiol (PubChem CID 157185435) has the molecular formula C15H28O3SSi and a molecular weight of 316.54 g/mol. Its IUPAC name is benzene;3-triethoxysilylpropane-1-thiol.

Molecular Properties

Compound Namebenzene;3-triethoxysilylpropane-1-thiol
PubChem CID157185435
Molecular FormulaC15H28O3SSi
Molecular Weight316.54 g/mol
Exact Mass316.15
IUPAC Namebenzene;3-triethoxysilylpropane-1-thiol
SMILESCCO[Si](CCCS)(OCC)OCC.c1ccccc1
InChIInChI=1S/C9H22O3SSi.C6H6/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;1-2-4-6-5-3-1/h13H,4-9H2,1-3H3;1-6H
InChIKeyAPBIRKHLJFLPLD-UHFFFAOYSA-N
XLogP4.04
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
toluene;3-triethoxysilylpropane-1-thiol
CID 159252127
29-triethoxysilylnonacosane-1-thiol
CID 87683851
20-triethoxysilylicosane-1-thiol
CID 87684173
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
3-[diethoxy(phenyl)silyl]propane-1-thiol
CID 23341373
3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane
CID 88614402
3-[bis[2-(didodecylamino)ethoxy]-ethoxysilyl]propane-1-thiol
CID 159134516
3-[ethoxy(dimethyl)silyl]propane-1-thiol;silane
CID 159201084
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
3-trihexoxysilylpropane-1-thiol
CID 88832868

Frequently Asked Questions

What is the IUPAC name of benzene;3-triethoxysilylpropane-1-thiol?
The IUPAC name of benzene;3-triethoxysilylpropane-1-thiol (CID 157185435) is benzene;3-triethoxysilylpropane-1-thiol.
What is the SMILES notation for benzene;3-triethoxysilylpropane-1-thiol?
The canonical SMILES for benzene;3-triethoxysilylpropane-1-thiol is CCO[Si](CCCS)(OCC)OCC.c1ccccc1.
What is the InChIKey of benzene;3-triethoxysilylpropane-1-thiol?
The InChIKey is APBIRKHLJFLPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3SSi.C6H6/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;1-2-4-6-5-3-1/h13H,4-9H2,1-3H3;1-6H.
What are the key properties of benzene;3-triethoxysilylpropane-1-thiol?
benzene;3-triethoxysilylpropane-1-thiol has a molecular weight of 316.54 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-triethoxysilylpropane-1-thiol is sourced from PubChem (CID 157185435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).