dicopper;dizinc;bis(indium(3+));heptasulfide

Cu2In2S7Zn2 — CID 173029332

IUPACdicopper;dizinc;bis(indium(3+));heptasulfide
SMILES[Cu+2].[Cu+2].[In+3].[In+3].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[Zn+2].[Zn+2]
InChIInChI=1S/2Cu.2In.7S.2Zn/q2*+2;2*+3;7*-2;2*+2
InChIKeyOVHGLYXTMCSEIE-UHFFFAOYSA-N
MW711.98 g/mol
LogP-0.79
Rot. Bonds

About dicopper;dizinc;bis(indium(3+));heptasulfide

dicopper;dizinc;bis(indium(3+));heptasulfide (PubChem CID 173029332) has the molecular formula Cu2In2S7Zn2 and a molecular weight of 711.98 g/mol. Its IUPAC name is dicopper;dizinc;bis(indium(3+));heptasulfide.

Molecular Properties

Compound Namedicopper;dizinc;bis(indium(3+));heptasulfide
PubChem CID173029332
Molecular FormulaCu2In2S7Zn2
Molecular Weight711.98 g/mol
Exact Mass707.33
IUPAC Namedicopper;dizinc;bis(indium(3+));heptasulfide
SMILES[Cu+2].[Cu+2].[In+3].[In+3].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[Zn+2].[Zn+2]
InChIInChI=1S/2Cu.2In.7S.2Zn/q2*+2;2*+3;7*-2;2*+2
InChIKeyOVHGLYXTMCSEIE-UHFFFAOYSA-N
XLogP-0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500711.98
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dicopper;dizinc;bis(indium(3+));heptasulfide 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 dicopper;dizinc;bis(indium(3+));heptasulfide?
The IUPAC name of dicopper;dizinc;bis(indium(3+));heptasulfide (CID 173029332) is dicopper;dizinc;bis(indium(3+));heptasulfide.
What is the SMILES notation for dicopper;dizinc;bis(indium(3+));heptasulfide?
The canonical SMILES for dicopper;dizinc;bis(indium(3+));heptasulfide is [Cu+2].[Cu+2].[In+3].[In+3].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[Zn+2].[Zn+2].
What is the InChIKey of dicopper;dizinc;bis(indium(3+));heptasulfide?
The InChIKey is OVHGLYXTMCSEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2Cu.2In.7S.2Zn/q2*+2;2*+3;7*-2;2*+2.
What are the key properties of dicopper;dizinc;bis(indium(3+));heptasulfide?
dicopper;dizinc;bis(indium(3+));heptasulfide has a molecular weight of 711.98 g/mol, XLogP of -0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;dizinc;bis(indium(3+));heptasulfide is sourced from PubChem (CID 173029332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).