dicopper disulfite

Cu2O6S2 — CID 170844287

IUPACdicopper disulfite
SMILESO=S([O-])[O-].O=S([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2Cu.2H2O3S/c;;2*1-4(2)3/h;;2*(H2,1,2,3)/q2*+2;;/p-4
InChIKeyQTRUBGNXUGWNIB-UHFFFAOYSA-J
MW287.22 g/mol
LogP-2.01
Rot. Bonds

About dicopper disulfite

dicopper disulfite (PubChem CID 170844287) has the molecular formula Cu2O6S2 and a molecular weight of 287.22 g/mol. Its IUPAC name is dicopper disulfite.

Molecular Properties

Compound Namedicopper disulfite
PubChem CID170844287
Molecular FormulaCu2O6S2
Molecular Weight287.22 g/mol
Exact Mass285.77
IUPAC Namedicopper disulfite
SMILESO=S([O-])[O-].O=S([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/2Cu.2H2O3S/c;;2*1-4(2)3/h;;2*(H2,1,2,3)/q2*+2;;/p-4
InChIKeyQTRUBGNXUGWNIB-UHFFFAOYSA-J
XLogP-2.01
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicopper disulfite?
The IUPAC name of dicopper disulfite (CID 170844287) is dicopper disulfite.
What is the SMILES notation for dicopper disulfite?
The canonical SMILES for dicopper disulfite is O=S([O-])[O-].O=S([O-])[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper disulfite?
The InChIKey is QTRUBGNXUGWNIB-UHFFFAOYSA-J. The full InChI is InChI=1S/2Cu.2H2O3S/c;;2*1-4(2)3/h;;2*(H2,1,2,3)/q2*+2;;/p-4.
What are the key properties of dicopper disulfite?
dicopper disulfite has a molecular weight of 287.22 g/mol, XLogP of -2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper disulfite is sourced from PubChem (CID 170844287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).