sulfane;tetraethylazanium

C8H22NS+ — CID 18424526

IUPACsulfane;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.S
InChIInChI=1S/C8H20N.H2S/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H2/q+1;
InChIKeyPDXVLTXYBDAGQZ-UHFFFAOYSA-N
MW164.34 g/mol
LogP2.00
Rot. Bonds4

About sulfane;tetraethylazanium

sulfane;tetraethylazanium (PubChem CID 18424526) has the molecular formula C8H22NS+ and a molecular weight of 164.34 g/mol. Its IUPAC name is sulfane;tetraethylazanium.

Molecular Properties

Compound Namesulfane;tetraethylazanium
PubChem CID18424526
Molecular FormulaC8H22NS+
Molecular Weight164.34 g/mol
Exact Mass164.15
IUPAC Namesulfane;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.S
InChIInChI=1S/C8H20N.H2S/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H2/q+1;
InChIKeyPDXVLTXYBDAGQZ-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfane;tetraethylazanium?
The IUPAC name of sulfane;tetraethylazanium (CID 18424526) is sulfane;tetraethylazanium.
What is the SMILES notation for sulfane;tetraethylazanium?
The canonical SMILES for sulfane;tetraethylazanium is CC[N+](CC)(CC)CC.S.
What is the InChIKey of sulfane;tetraethylazanium?
The InChIKey is PDXVLTXYBDAGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.H2S/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H2/q+1;.
What are the key properties of sulfane;tetraethylazanium?
sulfane;tetraethylazanium has a molecular weight of 164.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;tetraethylazanium is sourced from PubChem (CID 18424526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).