copper;gallium;zinc;indium(3+);pentasulfide

CuGaInS5Zn — CID 173107898

IUPACcopper;gallium;zinc;indium(3+);pentasulfide
SMILES[Cu+2].[Ga+3].[In+3].[S-2].[S-2].[S-2].[S-2].[S-2].[Zn+2]
InChIInChI=1S/Cu.Ga.In.5S.Zn/q+2;2*+3;5*-2;+2
InChIKeyJVGYPDRITHYYQH-UHFFFAOYSA-N
MW473.81 g/mol
LogP-0.78
Rot. Bonds

About copper;gallium;zinc;indium(3+);pentasulfide

copper;gallium;zinc;indium(3+);pentasulfide (PubChem CID 173107898) has the molecular formula CuGaInS5Zn and a molecular weight of 473.81 g/mol. Its IUPAC name is copper;gallium;zinc;indium(3+);pentasulfide.

Molecular Properties

Compound Namecopper;gallium;zinc;indium(3+);pentasulfide
PubChem CID173107898
Molecular FormulaCuGaInS5Zn
Molecular Weight473.81 g/mol
Exact Mass470.55
IUPAC Namecopper;gallium;zinc;indium(3+);pentasulfide
SMILES[Cu+2].[Ga+3].[In+3].[S-2].[S-2].[S-2].[S-2].[S-2].[Zn+2]
InChIInChI=1S/Cu.Ga.In.5S.Zn/q+2;2*+3;5*-2;+2
InChIKeyJVGYPDRITHYYQH-UHFFFAOYSA-N
XLogP-0.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.81
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;gallium;zinc;indium(3+);pentasulfide?
The IUPAC name of copper;gallium;zinc;indium(3+);pentasulfide (CID 173107898) is copper;gallium;zinc;indium(3+);pentasulfide.
What is the SMILES notation for copper;gallium;zinc;indium(3+);pentasulfide?
The canonical SMILES for copper;gallium;zinc;indium(3+);pentasulfide is [Cu+2].[Ga+3].[In+3].[S-2].[S-2].[S-2].[S-2].[S-2].[Zn+2].
What is the InChIKey of copper;gallium;zinc;indium(3+);pentasulfide?
The InChIKey is JVGYPDRITHYYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/Cu.Ga.In.5S.Zn/q+2;2*+3;5*-2;+2.
What are the key properties of copper;gallium;zinc;indium(3+);pentasulfide?
copper;gallium;zinc;indium(3+);pentasulfide has a molecular weight of 473.81 g/mol, XLogP of -0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;gallium;zinc;indium(3+);pentasulfide is sourced from PubChem (CID 173107898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).