copper bis(ethoxymethanedithioate)

C6H10CuO2S4 — CID 13403244

IUPACcopper bis(ethoxymethanedithioate)
SMILESCCOC(=S)[S-].CCOC(=S)[S-].[Cu+2]
InChIInChI=1S/2C3H6OS2.Cu/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);/q;;+2/p-2
InChIKeyMHGONGPZRHODOR-UHFFFAOYSA-L
MW305.96 g/mol
LogP1.71
Rot. Bonds2

About copper bis(ethoxymethanedithioate)

copper bis(ethoxymethanedithioate) (PubChem CID 13403244) has the molecular formula C6H10CuO2S4 and a molecular weight of 305.96 g/mol. Its IUPAC name is copper bis(ethoxymethanedithioate).

Molecular Properties

Compound Namecopper bis(ethoxymethanedithioate)
PubChem CID13403244
Molecular FormulaC6H10CuO2S4
Molecular Weight305.96 g/mol
Exact Mass304.89
IUPAC Namecopper bis(ethoxymethanedithioate)
SMILESCCOC(=S)[S-].CCOC(=S)[S-].[Cu+2]
InChIInChI=1S/2C3H6OS2.Cu/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);/q;;+2/p-2
InChIKeyMHGONGPZRHODOR-UHFFFAOYSA-L
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.96
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze copper bis(ethoxymethanedithioate) 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 copper bis(ethoxymethanedithioate)?
The IUPAC name of copper bis(ethoxymethanedithioate) (CID 13403244) is copper bis(ethoxymethanedithioate).
What is the SMILES notation for copper bis(ethoxymethanedithioate)?
The canonical SMILES for copper bis(ethoxymethanedithioate) is CCOC(=S)[S-].CCOC(=S)[S-].[Cu+2].
What is the InChIKey of copper bis(ethoxymethanedithioate)?
The InChIKey is MHGONGPZRHODOR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6OS2.Cu/c2*1-2-4-3(5)6;/h2*2H2,1H3,(H,5,6);/q;;+2/p-2.
What are the key properties of copper bis(ethoxymethanedithioate)?
copper bis(ethoxymethanedithioate) has a molecular weight of 305.96 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(ethoxymethanedithioate) is sourced from PubChem (CID 13403244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).