propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

C15H34O5SSi — CID 174889951

IUPACpropane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCCS.CCO[Si](CCCOCC1CO1)(OCC)OCC
InChIInChI=1S/C12H26O5Si.C3H8S/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12;1-2-3-4/h12H,4-11H2,1-3H3;4H,2-3H2,1H3
InChIKeyPUNMPLZWVNGXSM-UHFFFAOYSA-N
MW354.59 g/mol
LogP3.17
Rot. Bonds13

About propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 174889951) has the molecular formula C15H34O5SSi and a molecular weight of 354.59 g/mol. Its IUPAC name is propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Namepropane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID174889951
Molecular FormulaC15H34O5SSi
Molecular Weight354.59 g/mol
Exact Mass354.19
IUPAC Namepropane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCCS.CCO[Si](CCCOCC1CO1)(OCC)OCC
InChIInChI=1S/C12H26O5Si.C3H8S/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12;1-2-3-4/h12H,4-11H2,1-3H3;4H,2-3H2,1H3
InChIKeyPUNMPLZWVNGXSM-UHFFFAOYSA-N
XLogP3.17
TPSA49.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
propane-1,2,3-triol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174916618
2-(oxiran-2-ylmethoxymethyl)oxirane;silane;3-triethoxysilylpropan-1-amine
CID 174864417
diethoxy-methyl-[1-(oxiran-2-ylmethoxy)propyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87666631
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531
silane;triethoxy-[3-(oxiran-2-ylmethylperoxy)propyl]silane
CID 173126681
triethoxy-[3-[3-[3-(oxiran-2-ylmethoxy)propyl]imidazolidin-1-yl]propyl]silane
CID 140960756
ethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 161088311
triethoxy-[3-(oxetan-3-ylmethoxy)propyl]silane
CID 11346874
diethoxy-[2-(oxiran-2-ylmethoxy)butyl]silane;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173010804
diethoxy-methyl-[15-(oxiran-2-ylmethoxy)pentadecyl]silane
CID 156812550
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957

Frequently Asked Questions

What is the IUPAC name of propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 174889951) is propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is CCCS.CCO[Si](CCCOCC1CO1)(OCC)OCC.
What is the InChIKey of propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is PUNMPLZWVNGXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si.C3H8S/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12;1-2-3-4/h12H,4-11H2,1-3H3;4H,2-3H2,1H3.
What are the key properties of propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 354.59 g/mol, XLogP of 3.17, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 174889951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).