azane;3-triethoxysilylpropane-1-thiol

C9H25NO3SSi — CID 174882567

IUPACazane;3-triethoxysilylpropane-1-thiol
SMILESCCO[Si](CCCS)(OCC)OCC.N
InChIInChI=1S/C9H22O3SSi.H3N/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;/h13H,4-9H2,1-3H3;1H3
InChIKeyDPXDBZBNRIOJFN-UHFFFAOYSA-N
MW255.46 g/mol
LogP2.52
Rot. Bonds9

About azane;3-triethoxysilylpropane-1-thiol

azane;3-triethoxysilylpropane-1-thiol (PubChem CID 174882567) has the molecular formula C9H25NO3SSi and a molecular weight of 255.46 g/mol. Its IUPAC name is azane;3-triethoxysilylpropane-1-thiol.

Molecular Properties

Compound Nameazane;3-triethoxysilylpropane-1-thiol
PubChem CID174882567
Molecular FormulaC9H25NO3SSi
Molecular Weight255.46 g/mol
Exact Mass255.13
IUPAC Nameazane;3-triethoxysilylpropane-1-thiol
SMILESCCO[Si](CCCS)(OCC)OCC.N
InChIInChI=1S/C9H22O3SSi.H3N/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;/h13H,4-9H2,1-3H3;1H3
InChIKeyDPXDBZBNRIOJFN-UHFFFAOYSA-N
XLogP2.52
TPSA62.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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CID 157185435
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CID 87684173
toluene;3-triethoxysilylpropane-1-thiol
CID 159252127
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
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
3-sulfanyl-N-(3-triethoxysilylpropyl)propane-1-sulfonamide
CID 87479917

Frequently Asked Questions

What is the IUPAC name of azane;3-triethoxysilylpropane-1-thiol?
The IUPAC name of azane;3-triethoxysilylpropane-1-thiol (CID 174882567) is azane;3-triethoxysilylpropane-1-thiol.
What is the SMILES notation for azane;3-triethoxysilylpropane-1-thiol?
The canonical SMILES for azane;3-triethoxysilylpropane-1-thiol is CCO[Si](CCCS)(OCC)OCC.N.
What is the InChIKey of azane;3-triethoxysilylpropane-1-thiol?
The InChIKey is DPXDBZBNRIOJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3SSi.H3N/c1-4-10-14(11-5-2,12-6-3)9-7-8-13;/h13H,4-9H2,1-3H3;1H3.
What are the key properties of azane;3-triethoxysilylpropane-1-thiol?
azane;3-triethoxysilylpropane-1-thiol has a molecular weight of 255.46 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-triethoxysilylpropane-1-thiol is sourced from PubChem (CID 174882567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).