copper;trioxathietane 4,4-dioxide

CuO5S — CID 174193001

IUPACcopper;trioxathietane 4,4-dioxide
SMILESO=S1(=O)OOO1.[Cu]
InChIInChI=1S/Cu.O5S/c;1-6(2)4-3-5-6
InChIKeyGCHVVYOGVJDDFD-UHFFFAOYSA-N
MW175.61 g/mol
LogP-0.88
Rot. Bonds

About copper;trioxathietane 4,4-dioxide

copper;trioxathietane 4,4-dioxide (PubChem CID 174193001) has the molecular formula CuO5S and a molecular weight of 175.61 g/mol. Its IUPAC name is copper;trioxathietane 4,4-dioxide.

Molecular Properties

Compound Namecopper;trioxathietane 4,4-dioxide
PubChem CID174193001
Molecular FormulaCuO5S
Molecular Weight175.61 g/mol
Exact Mass174.88
IUPAC Namecopper;trioxathietane 4,4-dioxide
SMILESO=S1(=O)OOO1.[Cu]
InChIInChI=1S/Cu.O5S/c;1-6(2)4-3-5-6
InChIKeyGCHVVYOGVJDDFD-UHFFFAOYSA-N
XLogP-0.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;trioxathietane 4,4-dioxide?
The IUPAC name of copper;trioxathietane 4,4-dioxide (CID 174193001) is copper;trioxathietane 4,4-dioxide.
What is the SMILES notation for copper;trioxathietane 4,4-dioxide?
The canonical SMILES for copper;trioxathietane 4,4-dioxide is O=S1(=O)OOO1.[Cu].
What is the InChIKey of copper;trioxathietane 4,4-dioxide?
The InChIKey is GCHVVYOGVJDDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/Cu.O5S/c;1-6(2)4-3-5-6.
What are the key properties of copper;trioxathietane 4,4-dioxide?
copper;trioxathietane 4,4-dioxide has a molecular weight of 175.61 g/mol, XLogP of -0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;trioxathietane 4,4-dioxide is sourced from PubChem (CID 174193001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).