zinc;barium(2+);disulfide

BaS2Zn — CID 159845658

IUPACzinc;barium(2+);disulfide
SMILES[Ba+2].[S-2].[S-2].[Zn+2]
InChIInChI=1S/Ba.2S.Zn/q+2;2*-2;+2
InChIKeyNPGMLECLIVLIIH-UHFFFAOYSA-N
MW266.85 g/mol
LogP-0.39
Rot. Bonds

About zinc;barium(2+);disulfide

zinc;barium(2+);disulfide (PubChem CID 159845658) has the molecular formula BaS2Zn and a molecular weight of 266.85 g/mol. Its IUPAC name is zinc;barium(2+);disulfide.

Molecular Properties

Compound Namezinc;barium(2+);disulfide
PubChem CID159845658
Molecular FormulaBaS2Zn
Molecular Weight266.85 g/mol
Exact Mass265.78
IUPAC Namezinc;barium(2+);disulfide
SMILES[Ba+2].[S-2].[S-2].[Zn+2]
InChIInChI=1S/Ba.2S.Zn/q+2;2*-2;+2
InChIKeyNPGMLECLIVLIIH-UHFFFAOYSA-N
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.85
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;barium(2+);disulfide?
The IUPAC name of zinc;barium(2+);disulfide (CID 159845658) is zinc;barium(2+);disulfide.
What is the SMILES notation for zinc;barium(2+);disulfide?
The canonical SMILES for zinc;barium(2+);disulfide is [Ba+2].[S-2].[S-2].[Zn+2].
What is the InChIKey of zinc;barium(2+);disulfide?
The InChIKey is NPGMLECLIVLIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.2S.Zn/q+2;2*-2;+2.
What are the key properties of zinc;barium(2+);disulfide?
zinc;barium(2+);disulfide has a molecular weight of 266.85 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 zinc;barium(2+);disulfide is sourced from PubChem (CID 159845658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).