copper;dithiocyanatolead

C2CuN2PbS2 — CID 158355536

IUPACcopper;dithiocyanatolead
SMILESN#CS[Pb]SC#N.[Cu]
InChIInChI=1S/2CHNS.Cu.Pb/c2*2-1-3;;/h2*3H;;/q;;;+2/p-2
InChIKeyGSVDFUKNNMMLLU-UHFFFAOYSA-L
MW386.92 g/mol
LogP0.95
Rot. Bonds2

About copper;dithiocyanatolead

copper;dithiocyanatolead (PubChem CID 158355536) has the molecular formula C2CuN2PbS2 and a molecular weight of 386.92 g/mol. Its IUPAC name is copper;dithiocyanatolead.

Molecular Properties

Compound Namecopper;dithiocyanatolead
PubChem CID158355536
Molecular FormulaC2CuN2PbS2
Molecular Weight386.92 g/mol
Exact Mass386.86
IUPAC Namecopper;dithiocyanatolead
SMILESN#CS[Pb]SC#N.[Cu]
InChIInChI=1S/2CHNS.Cu.Pb/c2*2-1-3;;/h2*3H;;/q;;;+2/p-2
InChIKeyGSVDFUKNNMMLLU-UHFFFAOYSA-L
XLogP0.95
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;dithiocyanatolead?
The IUPAC name of copper;dithiocyanatolead (CID 158355536) is copper;dithiocyanatolead.
What is the SMILES notation for copper;dithiocyanatolead?
The canonical SMILES for copper;dithiocyanatolead is N#CS[Pb]SC#N.[Cu].
What is the InChIKey of copper;dithiocyanatolead?
The InChIKey is GSVDFUKNNMMLLU-UHFFFAOYSA-L. The full InChI is InChI=1S/2CHNS.Cu.Pb/c2*2-1-3;;/h2*3H;;/q;;;+2/p-2.
What are the key properties of copper;dithiocyanatolead?
copper;dithiocyanatolead has a molecular weight of 386.92 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;dithiocyanatolead is sourced from PubChem (CID 158355536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).