CID 158158863

CuO4S2 — CID 158158863

IUPAC—
SMILESO=S([O-])S(=O)[O-].[Cu+2]
InChIInChI=1S/Cu.H2O4S2/c;1-5(2)6(3)4/h;(H,1,2)(H,3,4)/q+2;/p-2
InChIKeyFWAFNOQIMQQFQE-UHFFFAOYSA-L
MW191.68 g/mol
LogP-1.34
Rot. Bonds1

About CID 158158863

CID 158158863 (PubChem CID 158158863) has the molecular formula CuO4S2 and a molecular weight of 191.68 g/mol.

Molecular Properties

Compound NameCID 158158863
PubChem CID158158863
Molecular FormulaCuO4S2
Molecular Weight191.68 g/mol
Exact Mass190.85
IUPAC Name—
SMILESO=S([O-])S(=O)[O-].[Cu+2]
InChIInChI=1S/Cu.H2O4S2/c;1-5(2)6(3)4/h;(H,1,2)(H,3,4)/q+2;/p-2
InChIKeyFWAFNOQIMQQFQE-UHFFFAOYSA-L
XLogP-1.34
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158158863?
The IUPAC name of CID 158158863 (CID 158158863) is not available.
What is the SMILES notation for CID 158158863?
The canonical SMILES for CID 158158863 is O=S([O-])S(=O)[O-].[Cu+2].
What is the InChIKey of CID 158158863?
The InChIKey is FWAFNOQIMQQFQE-UHFFFAOYSA-L. The full InChI is InChI=1S/Cu.H2O4S2/c;1-5(2)6(3)4/h;(H,1,2)(H,3,4)/q+2;/p-2.
What are the key properties of CID 158158863?
CID 158158863 has a molecular weight of 191.68 g/mol, XLogP of -1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158158863 is sourced from PubChem (CID 158158863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).