dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride

H3Cl3Cu2O14S4 — CID 161186024

IUPACdicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride
SMILESCl.O=S(=O)(Cl)Cl.O=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/Cl2O2S.ClH.2Cu.3H2O4S/c1-5(2,3)4;;;;3*1-5(2,3)4/h;1H;;;3*(H2,1,2,3,4)/q;;2*+2;;;/p-4
InChIKeyLRKCQTXPZFBOEN-UHFFFAOYSA-J
MW588.73 g/mol
LogP-2.20
Rot. Bonds

About dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride

dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride (PubChem CID 161186024) has the molecular formula H3Cl3Cu2O14S4 and a molecular weight of 588.73 g/mol. Its IUPAC name is dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride.

Molecular Properties

Compound Namedicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride
PubChem CID161186024
Molecular FormulaH3Cl3Cu2O14S4
Molecular Weight588.73 g/mol
Exact Mass585.61
IUPAC Namedicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride
SMILESCl.O=S(=O)(Cl)Cl.O=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Cu+2]
InChIInChI=1S/Cl2O2S.ClH.2Cu.3H2O4S/c1-5(2,3)4;;;;3*1-5(2,3)4/h;1H;;;3*(H2,1,2,3,4)/q;;2*+2;;;/p-4
InChIKeyLRKCQTXPZFBOEN-UHFFFAOYSA-J
XLogP-2.20
TPSA269.26 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.73
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride?
The IUPAC name of dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride (CID 161186024) is dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride.
What is the SMILES notation for dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride?
The canonical SMILES for dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride is Cl.O=S(=O)(Cl)Cl.O=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].[Cu+2].
What is the InChIKey of dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride?
The InChIKey is LRKCQTXPZFBOEN-UHFFFAOYSA-J. The full InChI is InChI=1S/Cl2O2S.ClH.2Cu.3H2O4S/c1-5(2,3)4;;;;3*1-5(2,3)4/h;1H;;;3*(H2,1,2,3,4)/q;;2*+2;;;/p-4.
What are the key properties of dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride?
dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride has a molecular weight of 588.73 g/mol, XLogP of -2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;sulfuric acid;sulfuryl dichloride;disulfate;hydrochloride is sourced from PubChem (CID 161186024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).