copper(1+);quinoxaline;2H-thiophen-2-ide

C12H9CuN2S — CID 130176708

IUPACcopper(1+);quinoxaline;2H-thiophen-2-ide
SMILES[Cu+].[c-]1cccs1.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C4H3S.Cu/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-5-3-1;/h1-6H;1-3H;/q;-1;+1
InChIKeyAHITVIZIULHLKE-UHFFFAOYSA-N
MW276.83 g/mol
LogP3.18
Rot. Bonds

About copper(1+);quinoxaline;2H-thiophen-2-ide

copper(1+);quinoxaline;2H-thiophen-2-ide (PubChem CID 130176708) has the molecular formula C12H9CuN2S and a molecular weight of 276.83 g/mol. Its IUPAC name is copper(1+);quinoxaline;2H-thiophen-2-ide.

Molecular Properties

Compound Namecopper(1+);quinoxaline;2H-thiophen-2-ide
PubChem CID130176708
Molecular FormulaC12H9CuN2S
Molecular Weight276.83 g/mol
Exact Mass275.98
IUPAC Namecopper(1+);quinoxaline;2H-thiophen-2-ide
SMILES[Cu+].[c-]1cccs1.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C4H3S.Cu/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-5-3-1;/h1-6H;1-3H;/q;-1;+1
InChIKeyAHITVIZIULHLKE-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.83
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of copper(1+);quinoxaline;2H-thiophen-2-ide?
The IUPAC name of copper(1+);quinoxaline;2H-thiophen-2-ide (CID 130176708) is copper(1+);quinoxaline;2H-thiophen-2-ide.
What is the SMILES notation for copper(1+);quinoxaline;2H-thiophen-2-ide?
The canonical SMILES for copper(1+);quinoxaline;2H-thiophen-2-ide is [Cu+].[c-]1cccs1.c1ccc2nccnc2c1.
What is the InChIKey of copper(1+);quinoxaline;2H-thiophen-2-ide?
The InChIKey is AHITVIZIULHLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C4H3S.Cu/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-5-3-1;/h1-6H;1-3H;/q;-1;+1.
What are the key properties of copper(1+);quinoxaline;2H-thiophen-2-ide?
copper(1+);quinoxaline;2H-thiophen-2-ide has a molecular weight of 276.83 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);quinoxaline;2H-thiophen-2-ide is sourced from PubChem (CID 130176708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).