1-ethylsulfanylpropyl(trimethoxy)silane

C8H20O3SSi — CID 21412054

IUPAC1-ethylsulfanylpropyl(trimethoxy)silane
SMILESCCSC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C8H20O3SSi/c1-6-8(12-7-2)13(9-3,10-4)11-5/h8H,6-7H2,1-5H3
InChIKeyPWNSMGFDNSJLTI-UHFFFAOYSA-N
MW224.40 g/mol
LogP1.94
Rot. Bonds7

About 1-ethylsulfanylpropyl(trimethoxy)silane

1-ethylsulfanylpropyl(trimethoxy)silane (PubChem CID 21412054) has the molecular formula C8H20O3SSi and a molecular weight of 224.40 g/mol. Its IUPAC name is 1-ethylsulfanylpropyl(trimethoxy)silane.

Molecular Properties

Compound Name1-ethylsulfanylpropyl(trimethoxy)silane
PubChem CID21412054
Molecular FormulaC8H20O3SSi
Molecular Weight224.40 g/mol
Exact Mass224.09
IUPAC Name1-ethylsulfanylpropyl(trimethoxy)silane
SMILESCCSC(CC)[Si](OC)(OC)OC
InChIInChI=1S/C8H20O3SSi/c1-6-8(12-7-2)13(9-3,10-4)11-5/h8H,6-7H2,1-5H3
InChIKeyPWNSMGFDNSJLTI-UHFFFAOYSA-N
XLogP1.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.40
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylpropyl(trimethoxy)silane?
The IUPAC name of 1-ethylsulfanylpropyl(trimethoxy)silane (CID 21412054) is 1-ethylsulfanylpropyl(trimethoxy)silane.
What is the SMILES notation for 1-ethylsulfanylpropyl(trimethoxy)silane?
The canonical SMILES for 1-ethylsulfanylpropyl(trimethoxy)silane is CCSC(CC)[Si](OC)(OC)OC.
What is the InChIKey of 1-ethylsulfanylpropyl(trimethoxy)silane?
The InChIKey is PWNSMGFDNSJLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O3SSi/c1-6-8(12-7-2)13(9-3,10-4)11-5/h8H,6-7H2,1-5H3.
What are the key properties of 1-ethylsulfanylpropyl(trimethoxy)silane?
1-ethylsulfanylpropyl(trimethoxy)silane has a molecular weight of 224.40 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylpropyl(trimethoxy)silane is sourced from PubChem (CID 21412054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).