azanium;potassium;sodium;trithiocyanate

C3H4KN4NaS3 — CID 23448329

IUPACazanium;potassium;sodium;trithiocyanate
SMILESN#C[S-].N#C[S-].N#C[S-].[K+].[NH4+].[Na+]
InChIInChI=1S/3CHNS.K.H3N.Na/c3*2-1-3;;;/h3*3H;;1H3;/q;;;+1;;+1/p-2
InChIKeyNARTUPQAPXUQEN-UHFFFAOYSA-L
MW254.38 g/mol
LogP-5.57
Rot. Bonds

About azanium;potassium;sodium;trithiocyanate

azanium;potassium;sodium;trithiocyanate (PubChem CID 23448329) has the molecular formula C3H4KN4NaS3 and a molecular weight of 254.38 g/mol. Its IUPAC name is azanium;potassium;sodium;trithiocyanate.

Molecular Properties

Compound Nameazanium;potassium;sodium;trithiocyanate
PubChem CID23448329
Molecular FormulaC3H4KN4NaS3
Molecular Weight254.38 g/mol
Exact Mass253.91
IUPAC Nameazanium;potassium;sodium;trithiocyanate
SMILESN#C[S-].N#C[S-].N#C[S-].[K+].[NH4+].[Na+]
InChIInChI=1S/3CHNS.K.H3N.Na/c3*2-1-3;;;/h3*3H;;1H3;/q;;;+1;;+1/p-2
InChIKeyNARTUPQAPXUQEN-UHFFFAOYSA-L
XLogP-5.57
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-5.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 azanium;potassium;sodium;trithiocyanate?
The IUPAC name of azanium;potassium;sodium;trithiocyanate (CID 23448329) is azanium;potassium;sodium;trithiocyanate.
What is the SMILES notation for azanium;potassium;sodium;trithiocyanate?
The canonical SMILES for azanium;potassium;sodium;trithiocyanate is N#C[S-].N#C[S-].N#C[S-].[K+].[NH4+].[Na+].
What is the InChIKey of azanium;potassium;sodium;trithiocyanate?
The InChIKey is NARTUPQAPXUQEN-UHFFFAOYSA-L. The full InChI is InChI=1S/3CHNS.K.H3N.Na/c3*2-1-3;;;/h3*3H;;1H3;/q;;;+1;;+1/p-2.
What are the key properties of azanium;potassium;sodium;trithiocyanate?
azanium;potassium;sodium;trithiocyanate has a molecular weight of 254.38 g/mol, XLogP of -5.57, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;potassium;sodium;trithiocyanate is sourced from PubChem (CID 23448329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).