erbium(3+) hexaisothiocyanate

C6ErN6S6-3 — CID 5250696

IUPACerbium(3+) hexaisothiocyanate
SMILES[Er+3].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S
InChIInChI=1S/6CNS.Er/c6*2-1-3;/q6*-1;+3
InChIKeyLCNUXIYIKYAERK-UHFFFAOYSA-N
MW515.77 g/mol
LogP3.95
Rot. Bonds

About erbium(3+) hexaisothiocyanate

erbium(3+) hexaisothiocyanate (PubChem CID 5250696) has the molecular formula C6ErN6S6-3 and a molecular weight of 515.77 g/mol. Its IUPAC name is erbium(3+) hexaisothiocyanate.

Molecular Properties

Compound Nameerbium(3+) hexaisothiocyanate
PubChem CID5250696
Molecular FormulaC6ErN6S6-3
Molecular Weight515.77 g/mol
Exact Mass513.78
IUPAC Nameerbium(3+) hexaisothiocyanate
SMILES[Er+3].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S
InChIInChI=1S/6CNS.Er/c6*2-1-3;/q6*-1;+3
InChIKeyLCNUXIYIKYAERK-UHFFFAOYSA-N
XLogP3.95
TPSA133.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.77
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of erbium(3+) hexaisothiocyanate?
The IUPAC name of erbium(3+) hexaisothiocyanate (CID 5250696) is erbium(3+) hexaisothiocyanate.
What is the SMILES notation for erbium(3+) hexaisothiocyanate?
The canonical SMILES for erbium(3+) hexaisothiocyanate is [Er+3].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.
What is the InChIKey of erbium(3+) hexaisothiocyanate?
The InChIKey is LCNUXIYIKYAERK-UHFFFAOYSA-N. The full InChI is InChI=1S/6CNS.Er/c6*2-1-3;/q6*-1;+3.
What are the key properties of erbium(3+) hexaisothiocyanate?
erbium(3+) hexaisothiocyanate has a molecular weight of 515.77 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for erbium(3+) hexaisothiocyanate is sourced from PubChem (CID 5250696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).