zirconium(4+) trisulfide

S3Zr-2 — CID 175737014

IUPACzirconium(4+) trisulfide
SMILES[S-2].[S-2].[S-2].[Zr+4]
InChIInChI=1S/3S.Zr/q3*-2;+4
InChIKeyVBBLNLZCWYBBAR-UHFFFAOYSA-N
MW187.43 g/mol
LogP-0.01
Rot. Bonds

About zirconium(4+) trisulfide

zirconium(4+) trisulfide (PubChem CID 175737014) has the molecular formula S3Zr-2 and a molecular weight of 187.43 g/mol. Its IUPAC name is zirconium(4+) trisulfide.

Molecular Properties

Compound Namezirconium(4+) trisulfide
PubChem CID175737014
Molecular FormulaS3Zr-2
Molecular Weight187.43 g/mol
Exact Mass185.82
IUPAC Namezirconium(4+) trisulfide
SMILES[S-2].[S-2].[S-2].[Zr+4]
InChIInChI=1S/3S.Zr/q3*-2;+4
InChIKeyVBBLNLZCWYBBAR-UHFFFAOYSA-N
XLogP-0.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of zirconium(4+) trisulfide?
The IUPAC name of zirconium(4+) trisulfide (CID 175737014) is zirconium(4+) trisulfide.
What is the SMILES notation for zirconium(4+) trisulfide?
The canonical SMILES for zirconium(4+) trisulfide is [S-2].[S-2].[S-2].[Zr+4].
What is the InChIKey of zirconium(4+) trisulfide?
The InChIKey is VBBLNLZCWYBBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/3S.Zr/q3*-2;+4.
What are the key properties of zirconium(4+) trisulfide?
zirconium(4+) trisulfide has a molecular weight of 187.43 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zirconium(4+) trisulfide is sourced from PubChem (CID 175737014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).