difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium)

C24H60F2N6O2S2Si — CID 88674392

IUPACdifluoro(dioxido)silane;bis(tris(diethylamino)sulfanium)
SMILESCCN(CC)[S+](N(CC)CC)N(CC)CC.CCN(CC)[S+](N(CC)CC)N(CC)CC.[O-][Si]([O-])(F)F
InChIInChI=1S/2C12H30N3S.F2O2Si/c2*1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;1-5(2,3)4/h2*7-12H2,1-6H3;/q2*+1;-2
InChIKeyWJKKHLZOFUTDKX-UHFFFAOYSA-N
MW595.00 g/mol
LogP2.83
Rot. Bonds18

About difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium)

difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium) (PubChem CID 88674392) has the molecular formula C24H60F2N6O2S2Si and a molecular weight of 595.00 g/mol. Its IUPAC name is difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium).

Molecular Properties

Compound Namedifluoro(dioxido)silane;bis(tris(diethylamino)sulfanium)
PubChem CID88674392
Molecular FormulaC24H60F2N6O2S2Si
Molecular Weight595.00 g/mol
Exact Mass594.40
IUPAC Namedifluoro(dioxido)silane;bis(tris(diethylamino)sulfanium)
SMILESCCN(CC)[S+](N(CC)CC)N(CC)CC.CCN(CC)[S+](N(CC)CC)N(CC)CC.[O-][Si]([O-])(F)F
InChIInChI=1S/2C12H30N3S.F2O2Si/c2*1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;1-5(2,3)4/h2*7-12H2,1-6H3;/q2*+1;-2
InChIKeyWJKKHLZOFUTDKX-UHFFFAOYSA-N
XLogP2.83
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.00
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium)?
The IUPAC name of difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium) (CID 88674392) is difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium).
What is the SMILES notation for difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium)?
The canonical SMILES for difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium) is CCN(CC)[S+](N(CC)CC)N(CC)CC.CCN(CC)[S+](N(CC)CC)N(CC)CC.[O-][Si]([O-])(F)F.
What is the InChIKey of difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium)?
The InChIKey is WJKKHLZOFUTDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H30N3S.F2O2Si/c2*1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6;1-5(2,3)4/h2*7-12H2,1-6H3;/q2*+1;-2.
What are the key properties of difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium)?
difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium) has a molecular weight of 595.00 g/mol, XLogP of 2.83, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(dioxido)silane;bis(tris(diethylamino)sulfanium) is sourced from PubChem (CID 88674392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).