azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane

C16H48N2O6S5Si2 — CID 173219815

IUPACazane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane
SMILESCCO[Si](CC)(OCC)OCC.CCO[Si](OCC)(OCC)S(CC)(SS)SS.N.N
InChIInChI=1S/C8H22O3S5Si.C8H20O3Si.2H3N/c1-5-9-17(10-6-2,11-7-3)16(8-4,14-12)15-13;1-5-9-12(8-4,10-6-2)11-7-3;;/h12-13H,5-8H2,1-4H3;5-8H2,1-4H3;2*1H3
InChIKeyUWNONRDZSCGKPR-UHFFFAOYSA-N
MW581.08 g/mol
LogP6.72
Rot. Bonds17

About azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane

azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane (PubChem CID 173219815) has the molecular formula C16H48N2O6S5Si2 and a molecular weight of 581.08 g/mol. Its IUPAC name is azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane.

Molecular Properties

Compound Nameazane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane
PubChem CID173219815
Molecular FormulaC16H48N2O6S5Si2
Molecular Weight581.08 g/mol
Exact Mass580.17
IUPAC Nameazane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane
SMILESCCO[Si](CC)(OCC)OCC.CCO[Si](OCC)(OCC)S(CC)(SS)SS.N.N
InChIInChI=1S/C8H22O3S5Si.C8H20O3Si.2H3N/c1-5-9-17(10-6-2,11-7-3)16(8-4,14-12)15-13;1-5-9-12(8-4,10-6-2)11-7-3;;/h12-13H,5-8H2,1-4H3;5-8H2,1-4H3;2*1H3
InChIKeyUWNONRDZSCGKPR-UHFFFAOYSA-N
XLogP6.72
TPSA125.38 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500581.08
LogP ≤ 56.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane?
The IUPAC name of azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane (CID 173219815) is azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane.
What is the SMILES notation for azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane?
The canonical SMILES for azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane is CCO[Si](CC)(OCC)OCC.CCO[Si](OCC)(OCC)S(CC)(SS)SS.N.N.
What is the InChIKey of azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane?
The InChIKey is UWNONRDZSCGKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22O3S5Si.C8H20O3Si.2H3N/c1-5-9-17(10-6-2,11-7-3)16(8-4,14-12)15-13;1-5-9-12(8-4,10-6-2)11-7-3;;/h12-13H,5-8H2,1-4H3;5-8H2,1-4H3;2*1H3.
What are the key properties of azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane?
azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane has a molecular weight of 581.08 g/mol, XLogP of 6.72, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[bis(disulfanyl)-ethyl-λ4-sulfanyl]-triethoxysilane;triethoxy(ethyl)silane is sourced from PubChem (CID 173219815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).