bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium)

C16H42N2S4W — CID 12984553

IUPACbis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium)
SMILESCC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.S=[W]=S.[SH-].[SH-]
InChIInChI=1S/2C8H20N.2H2S.2S.W/c2*1-5-9(6-2,7-3)8-4;;;;;/h2*5-8H2,1-4H3;2*1H2;;;/q2*+1;;;;;/p-2
InChIKeyGYXBZNPJAFCQMO-UHFFFAOYSA-L
MW574.63 g/mol
LogP4.52
Rot. Bonds8

About bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium)

bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium) (PubChem CID 12984553) has the molecular formula C16H42N2S4W and a molecular weight of 574.63 g/mol. Its IUPAC name is bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium).

Molecular Properties

Compound Namebis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium)
PubChem CID12984553
Molecular FormulaC16H42N2S4W
Molecular Weight574.63 g/mol
Exact Mass574.17
IUPAC Namebis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium)
SMILESCC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.S=[W]=S.[SH-].[SH-]
InChIInChI=1S/2C8H20N.2H2S.2S.W/c2*1-5-9(6-2,7-3)8-4;;;;;/h2*5-8H2,1-4H3;2*1H2;;;/q2*+1;;;;;/p-2
InChIKeyGYXBZNPJAFCQMO-UHFFFAOYSA-L
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.63
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium)?
The IUPAC name of bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium) (CID 12984553) is bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium).
What is the SMILES notation for bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium)?
The canonical SMILES for bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium) is CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.S=[W]=S.[SH-].[SH-].
What is the InChIKey of bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium)?
The InChIKey is GYXBZNPJAFCQMO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H20N.2H2S.2S.W/c2*1-5-9(6-2,7-3)8-4;;;;;/h2*5-8H2,1-4H3;2*1H2;;;/q2*+1;;;;;/p-2.
What are the key properties of bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium)?
bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium) has a molecular weight of 574.63 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanylidene)tungsten;sulfanide;bis(tetraethylazanium) is sourced from PubChem (CID 12984553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).