barium(2+);zirconium(4+);trisulfide

BaS3Zr — CID 161440464

IUPACbarium(2+);zirconium(4+);trisulfide
SMILES[Ba+2].[S-2].[S-2].[S-2].[Zr+4]
InChIInChI=1S/Ba.3S.Zr/q+2;3*-2;+4
InChIKeyVZEWXGMVQCXBJK-UHFFFAOYSA-N
MW324.75 g/mol
LogP-0.39
Rot. Bonds

About barium(2+);zirconium(4+);trisulfide

barium(2+);zirconium(4+);trisulfide (PubChem CID 161440464) has the molecular formula BaS3Zr and a molecular weight of 324.75 g/mol. Its IUPAC name is barium(2+);zirconium(4+);trisulfide.

Molecular Properties

Compound Namebarium(2+);zirconium(4+);trisulfide
PubChem CID161440464
Molecular FormulaBaS3Zr
Molecular Weight324.75 g/mol
Exact Mass323.73
IUPAC Namebarium(2+);zirconium(4+);trisulfide
SMILES[Ba+2].[S-2].[S-2].[S-2].[Zr+4]
InChIInChI=1S/Ba.3S.Zr/q+2;3*-2;+4
InChIKeyVZEWXGMVQCXBJK-UHFFFAOYSA-N
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of barium(2+);zirconium(4+);trisulfide?
The IUPAC name of barium(2+);zirconium(4+);trisulfide (CID 161440464) is barium(2+);zirconium(4+);trisulfide.
What is the SMILES notation for barium(2+);zirconium(4+);trisulfide?
The canonical SMILES for barium(2+);zirconium(4+);trisulfide is [Ba+2].[S-2].[S-2].[S-2].[Zr+4].
What is the InChIKey of barium(2+);zirconium(4+);trisulfide?
The InChIKey is VZEWXGMVQCXBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.3S.Zr/q+2;3*-2;+4.
What are the key properties of barium(2+);zirconium(4+);trisulfide?
barium(2+);zirconium(4+);trisulfide has a molecular weight of 324.75 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);zirconium(4+);trisulfide is sourced from PubChem (CID 161440464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).