tetrasulfanyl(3,3,3-triethoxypropyl)silane

C9H22O3S4Si — CID 123981868

IUPACtetrasulfanyl(3,3,3-triethoxypropyl)silane
SMILESCCOC(CC[SiH2]SSSS)(OCC)OCC
InChIInChI=1S/C9H22O3S4Si/c1-4-10-9(11-5-2,12-6-3)7-8-17-16-15-14-13/h13H,4-8,17H2,1-3H3
InChIKeyDIJKCEVFUWKUEA-UHFFFAOYSA-N
MW334.63 g/mol
LogP3.52
Rot. Bonds12

About tetrasulfanyl(3,3,3-triethoxypropyl)silane

tetrasulfanyl(3,3,3-triethoxypropyl)silane (PubChem CID 123981868) has the molecular formula C9H22O3S4Si and a molecular weight of 334.63 g/mol. Its IUPAC name is tetrasulfanyl(3,3,3-triethoxypropyl)silane.

Molecular Properties

Compound Nametetrasulfanyl(3,3,3-triethoxypropyl)silane
PubChem CID123981868
Molecular FormulaC9H22O3S4Si
Molecular Weight334.63 g/mol
Exact Mass334.02
IUPAC Nametetrasulfanyl(3,3,3-triethoxypropyl)silane
SMILESCCOC(CC[SiH2]SSSS)(OCC)OCC
InChIInChI=1S/C9H22O3S4Si/c1-4-10-9(11-5-2,12-6-3)7-8-17-16-15-14-13/h13H,4-8,17H2,1-3H3
InChIKeyDIJKCEVFUWKUEA-UHFFFAOYSA-N
XLogP3.52
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrasulfanyl(3,3,3-triethoxypropyl)silane?
The IUPAC name of tetrasulfanyl(3,3,3-triethoxypropyl)silane (CID 123981868) is tetrasulfanyl(3,3,3-triethoxypropyl)silane.
What is the SMILES notation for tetrasulfanyl(3,3,3-triethoxypropyl)silane?
The canonical SMILES for tetrasulfanyl(3,3,3-triethoxypropyl)silane is CCOC(CC[SiH2]SSSS)(OCC)OCC.
What is the InChIKey of tetrasulfanyl(3,3,3-triethoxypropyl)silane?
The InChIKey is DIJKCEVFUWKUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3S4Si/c1-4-10-9(11-5-2,12-6-3)7-8-17-16-15-14-13/h13H,4-8,17H2,1-3H3.
What are the key properties of tetrasulfanyl(3,3,3-triethoxypropyl)silane?
tetrasulfanyl(3,3,3-triethoxypropyl)silane has a molecular weight of 334.63 g/mol, XLogP of 3.52, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasulfanyl(3,3,3-triethoxypropyl)silane is sourced from PubChem (CID 123981868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).