potassium;gold(3+);diisothiocyanate

C2AuKN2S2+2 — CID 158053993

IUPACpotassium;gold(3+);diisothiocyanate
SMILES[Au+3].[K+].[N-]=C=S.[N-]=C=S
InChIInChI=1S/2CNS.Au.K/c2*2-1-3;;/q2*-1;+3;+1
InChIKeyFFTQJARKPZJBKE-UHFFFAOYSA-N
MW352.24 g/mol
LogP-1.68
Rot. Bonds

About potassium;gold(3+);diisothiocyanate

potassium;gold(3+);diisothiocyanate (PubChem CID 158053993) has the molecular formula C2AuKN2S2+2 and a molecular weight of 352.24 g/mol. Its IUPAC name is potassium;gold(3+);diisothiocyanate.

Molecular Properties

Compound Namepotassium;gold(3+);diisothiocyanate
PubChem CID158053993
Molecular FormulaC2AuKN2S2+2
Molecular Weight352.24 g/mol
Exact Mass351.88
IUPAC Namepotassium;gold(3+);diisothiocyanate
SMILES[Au+3].[K+].[N-]=C=S.[N-]=C=S
InChIInChI=1S/2CNS.Au.K/c2*2-1-3;;/q2*-1;+3;+1
InChIKeyFFTQJARKPZJBKE-UHFFFAOYSA-N
XLogP-1.68
TPSA44.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 potassium;gold(3+);diisothiocyanate?
The IUPAC name of potassium;gold(3+);diisothiocyanate (CID 158053993) is potassium;gold(3+);diisothiocyanate.
What is the SMILES notation for potassium;gold(3+);diisothiocyanate?
The canonical SMILES for potassium;gold(3+);diisothiocyanate is [Au+3].[K+].[N-]=C=S.[N-]=C=S.
What is the InChIKey of potassium;gold(3+);diisothiocyanate?
The InChIKey is FFTQJARKPZJBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2CNS.Au.K/c2*2-1-3;;/q2*-1;+3;+1.
What are the key properties of potassium;gold(3+);diisothiocyanate?
potassium;gold(3+);diisothiocyanate has a molecular weight of 352.24 g/mol, XLogP of -1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;gold(3+);diisothiocyanate is sourced from PubChem (CID 158053993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).