toluene;3-triethoxysilylpropane-1-thiol

C16H30O3SSi — CID 159252127

IUPACtoluene;3-triethoxysilylpropane-1-thiol
SMILESCCO[Si](CCCS)(OCC)OCC.Cc1ccccc1
InChIInChI=1S/C9H22O3SSi.C7H8/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;1-7-5-3-2-4-6-7/h13H,4-9H2,1-3H3;2-6H,1H3
InChIKeyKVKURXMBDLVPFN-UHFFFAOYSA-N
MW330.57 g/mol
LogP4.35
Rot. Bonds9

About toluene;3-triethoxysilylpropane-1-thiol

toluene;3-triethoxysilylpropane-1-thiol (PubChem CID 159252127) has the molecular formula C16H30O3SSi and a molecular weight of 330.57 g/mol. Its IUPAC name is toluene;3-triethoxysilylpropane-1-thiol.

Molecular Properties

Compound Nametoluene;3-triethoxysilylpropane-1-thiol
PubChem CID159252127
Molecular FormulaC16H30O3SSi
Molecular Weight330.57 g/mol
Exact Mass330.17
IUPAC Nametoluene;3-triethoxysilylpropane-1-thiol
SMILESCCO[Si](CCCS)(OCC)OCC.Cc1ccccc1
InChIInChI=1S/C9H22O3SSi.C7H8/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;1-7-5-3-2-4-6-7/h13H,4-9H2,1-3H3;2-6H,1H3
InChIKeyKVKURXMBDLVPFN-UHFFFAOYSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 54.35
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

benzene;3-triethoxysilylpropane-1-thiol
CID 157185435
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
3-[diethoxy(phenyl)silyl]propane-1-thiol
CID 23341373
20-triethoxysilylicosane-1-thiol
CID 87684173
29-triethoxysilylnonacosane-1-thiol
CID 87683851
triethoxy(5-phenoxypentyl)silane
CID 69261827
3-[4-[4-[8-(3-triethoxysilylpropoxy)octoxy]phenyl]phenoxy]propane-1-thiol
CID 91319392
ruthenium;toluene;trihydrochloride
CID 174723656
triethoxy(2-triphenylsilylethyl)silane
CID 71398175
diethoxy-(4-methylphenyl)-phenylsilane
CID 68659610
3-[dimethoxy(methyl)silyl]propane-1-thiol;triethoxy(propyl)silane
CID 88614402
pentane;toluene;dihydrochloride
CID 174930487

Frequently Asked Questions

What is the IUPAC name of toluene;3-triethoxysilylpropane-1-thiol?
The IUPAC name of toluene;3-triethoxysilylpropane-1-thiol (CID 159252127) is toluene;3-triethoxysilylpropane-1-thiol.
What is the SMILES notation for toluene;3-triethoxysilylpropane-1-thiol?
The canonical SMILES for toluene;3-triethoxysilylpropane-1-thiol is CCO[Si](CCCS)(OCC)OCC.Cc1ccccc1.
What is the InChIKey of toluene;3-triethoxysilylpropane-1-thiol?
The InChIKey is KVKURXMBDLVPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3SSi.C7H8/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;1-7-5-3-2-4-6-7/h13H,4-9H2,1-3H3;2-6H,1H3.
What are the key properties of toluene;3-triethoxysilylpropane-1-thiol?
toluene;3-triethoxysilylpropane-1-thiol has a molecular weight of 330.57 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for toluene;3-triethoxysilylpropane-1-thiol is sourced from PubChem (CID 159252127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).