barium(2+);sulfane;zinc;sulfate;hydrate

H4BaO5S2Zn2 — CID 170839357

IUPACbarium(2+);sulfane;zinc;sulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].S.[Ba+2].[Zn].[Zn]
InChIInChI=1S/Ba.H2O4S.H2O.H2S.2Zn/c;1-5(2,3)4;;;;/h;(H2,1,2,3,4);2*1H2;;/q+2;;;;;/p-2
InChIKeyLVHJOQPRVDNNBM-UHFFFAOYSA-L
MW416.27 g/mol
LogP-2.44
Rot. Bonds

About barium(2+);sulfane;zinc;sulfate;hydrate

barium(2+);sulfane;zinc;sulfate;hydrate (PubChem CID 170839357) has the molecular formula H4BaO5S2Zn2 and a molecular weight of 416.27 g/mol. Its IUPAC name is barium(2+);sulfane;zinc;sulfate;hydrate.

Molecular Properties

Compound Namebarium(2+);sulfane;zinc;sulfate;hydrate
PubChem CID170839357
Molecular FormulaH4BaO5S2Zn2
Molecular Weight416.27 g/mol
Exact Mass413.71
IUPAC Namebarium(2+);sulfane;zinc;sulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].S.[Ba+2].[Zn].[Zn]
InChIInChI=1S/Ba.H2O4S.H2O.H2S.2Zn/c;1-5(2,3)4;;;;/h;(H2,1,2,3,4);2*1H2;;/q+2;;;;;/p-2
InChIKeyLVHJOQPRVDNNBM-UHFFFAOYSA-L
XLogP-2.44
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 5-2.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 barium(2+);sulfane;zinc;sulfate;hydrate?
The IUPAC name of barium(2+);sulfane;zinc;sulfate;hydrate (CID 170839357) is barium(2+);sulfane;zinc;sulfate;hydrate.
What is the SMILES notation for barium(2+);sulfane;zinc;sulfate;hydrate?
The canonical SMILES for barium(2+);sulfane;zinc;sulfate;hydrate is O.O=S(=O)([O-])[O-].S.[Ba+2].[Zn].[Zn].
What is the InChIKey of barium(2+);sulfane;zinc;sulfate;hydrate?
The InChIKey is LVHJOQPRVDNNBM-UHFFFAOYSA-L. The full InChI is InChI=1S/Ba.H2O4S.H2O.H2S.2Zn/c;1-5(2,3)4;;;;/h;(H2,1,2,3,4);2*1H2;;/q+2;;;;;/p-2.
What are the key properties of barium(2+);sulfane;zinc;sulfate;hydrate?
barium(2+);sulfane;zinc;sulfate;hydrate has a molecular weight of 416.27 g/mol, XLogP of -2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);sulfane;zinc;sulfate;hydrate is sourced from PubChem (CID 170839357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).