potassium;gold(3+);hydride;triisothiocyanate

C3HAuKN3S3 — CID 173351856

IUPACpotassium;gold(3+);hydride;triisothiocyanate
SMILES[Au+3].[H-].[K+].[N-]=C=S.[N-]=C=S.[N-]=C=S
InChIInChI=1S/3CNS.Au.K.H/c3*2-1-3;;;/q3*-1;+3;+1;-1
InChIKeyFERYZNLWTUNURI-UHFFFAOYSA-N
MW411.33 g/mol
LogP-0.91
Rot. Bonds

About potassium;gold(3+);hydride;triisothiocyanate

potassium;gold(3+);hydride;triisothiocyanate (PubChem CID 173351856) has the molecular formula C3HAuKN3S3 and a molecular weight of 411.33 g/mol. Its IUPAC name is potassium;gold(3+);hydride;triisothiocyanate.

Molecular Properties

Compound Namepotassium;gold(3+);hydride;triisothiocyanate
PubChem CID173351856
Molecular FormulaC3HAuKN3S3
Molecular Weight411.33 g/mol
Exact Mass410.86
IUPAC Namepotassium;gold(3+);hydride;triisothiocyanate
SMILES[Au+3].[H-].[K+].[N-]=C=S.[N-]=C=S.[N-]=C=S
InChIInChI=1S/3CNS.Au.K.H/c3*2-1-3;;;/q3*-1;+3;+1;-1
InChIKeyFERYZNLWTUNURI-UHFFFAOYSA-N
XLogP-0.91
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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+);hydride;triisothiocyanate?
The IUPAC name of potassium;gold(3+);hydride;triisothiocyanate (CID 173351856) is potassium;gold(3+);hydride;triisothiocyanate.
What is the SMILES notation for potassium;gold(3+);hydride;triisothiocyanate?
The canonical SMILES for potassium;gold(3+);hydride;triisothiocyanate is [Au+3].[H-].[K+].[N-]=C=S.[N-]=C=S.[N-]=C=S.
What is the InChIKey of potassium;gold(3+);hydride;triisothiocyanate?
The InChIKey is FERYZNLWTUNURI-UHFFFAOYSA-N. The full InChI is InChI=1S/3CNS.Au.K.H/c3*2-1-3;;;/q3*-1;+3;+1;-1.
What are the key properties of potassium;gold(3+);hydride;triisothiocyanate?
potassium;gold(3+);hydride;triisothiocyanate has a molecular weight of 411.33 g/mol, XLogP of -0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;gold(3+);hydride;triisothiocyanate is sourced from PubChem (CID 173351856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).