copper bis(methoxymethanedithioate)

C4H6CuO2S4 — CID 88839532

IUPACcopper bis(methoxymethanedithioate)
SMILESCOC(=S)[S-].COC(=S)[S-].[Cu+2]
InChIInChI=1S/2C2H4OS2.Cu/c2*1-3-2(4)5;/h2*1H3,(H,4,5);/q;;+2/p-2
InChIKeyFUZUILBVCBWWLH-UHFFFAOYSA-L
MW277.90 g/mol
LogP0.93
Rot. Bonds

About copper bis(methoxymethanedithioate)

copper bis(methoxymethanedithioate) (PubChem CID 88839532) has the molecular formula C4H6CuO2S4 and a molecular weight of 277.90 g/mol. Its IUPAC name is copper bis(methoxymethanedithioate).

Molecular Properties

Compound Namecopper bis(methoxymethanedithioate)
PubChem CID88839532
Molecular FormulaC4H6CuO2S4
Molecular Weight277.90 g/mol
Exact Mass276.85
IUPAC Namecopper bis(methoxymethanedithioate)
SMILESCOC(=S)[S-].COC(=S)[S-].[Cu+2]
InChIInChI=1S/2C2H4OS2.Cu/c2*1-3-2(4)5;/h2*1H3,(H,4,5);/q;;+2/p-2
InChIKeyFUZUILBVCBWWLH-UHFFFAOYSA-L
XLogP0.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.90
LogP ≤ 50.93
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'}

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Frequently Asked Questions

What is the IUPAC name of copper bis(methoxymethanedithioate)?
The IUPAC name of copper bis(methoxymethanedithioate) (CID 88839532) is copper bis(methoxymethanedithioate).
What is the SMILES notation for copper bis(methoxymethanedithioate)?
The canonical SMILES for copper bis(methoxymethanedithioate) is COC(=S)[S-].COC(=S)[S-].[Cu+2].
What is the InChIKey of copper bis(methoxymethanedithioate)?
The InChIKey is FUZUILBVCBWWLH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4OS2.Cu/c2*1-3-2(4)5;/h2*1H3,(H,4,5);/q;;+2/p-2.
What are the key properties of copper bis(methoxymethanedithioate)?
copper bis(methoxymethanedithioate) has a molecular weight of 277.90 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(methoxymethanedithioate) is sourced from PubChem (CID 88839532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).