palladium(2+) dithiocyanate

C2N2PdS2 — CID 18006754

IUPACpalladium(2+) dithiocyanate
SMILESN#C[S-].N#C[S-].[Pd+2]
InChIInChI=1S/2CHNS.Pd/c2*2-1-3;/h2*3H;/q;;+2/p-2
InChIKeyGSYLAHRHHUKOLQ-UHFFFAOYSA-L
MW222.59 g/mol
LogP0.03
Rot. Bonds

About palladium(2+) dithiocyanate

palladium(2+) dithiocyanate (PubChem CID 18006754) has the molecular formula C2N2PdS2 and a molecular weight of 222.59 g/mol. Its IUPAC name is palladium(2+) dithiocyanate.

Molecular Properties

Compound Namepalladium(2+) dithiocyanate
PubChem CID18006754
Molecular FormulaC2N2PdS2
Molecular Weight222.59 g/mol
Exact Mass221.85
IUPAC Namepalladium(2+) dithiocyanate
SMILESN#C[S-].N#C[S-].[Pd+2]
InChIInChI=1S/2CHNS.Pd/c2*2-1-3;/h2*3H;/q;;+2/p-2
InChIKeyGSYLAHRHHUKOLQ-UHFFFAOYSA-L
XLogP0.03
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.59
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of palladium(2+) dithiocyanate?
The IUPAC name of palladium(2+) dithiocyanate (CID 18006754) is palladium(2+) dithiocyanate.
What is the SMILES notation for palladium(2+) dithiocyanate?
The canonical SMILES for palladium(2+) dithiocyanate is N#C[S-].N#C[S-].[Pd+2].
What is the InChIKey of palladium(2+) dithiocyanate?
The InChIKey is GSYLAHRHHUKOLQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2CHNS.Pd/c2*2-1-3;/h2*3H;/q;;+2/p-2.
What are the key properties of palladium(2+) dithiocyanate?
palladium(2+) dithiocyanate has a molecular weight of 222.59 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+) dithiocyanate is sourced from PubChem (CID 18006754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).