azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate

CH5KN2O3S3 — CID 139681245

IUPACazanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate
SMILESN#C[S-].O=S([O-])(O)=S.[K+].[NH4+]
InChIInChI=1S/CHNS.K.H3N.H2O3S2/c2-1-3;;;1-5(2,3)4/h3H;;1H3;(H2,1,2,3,4)/q;+1;;/p-1
InChIKeyMSMOAJQDTICZFZ-UHFFFAOYSA-M
MW228.36 g/mol
LogP-3.27
Rot. Bonds

About azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate

azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate (PubChem CID 139681245) has the molecular formula CH5KN2O3S3 and a molecular weight of 228.36 g/mol. Its IUPAC name is azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate.

Molecular Properties

Compound Nameazanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate
PubChem CID139681245
Molecular FormulaCH5KN2O3S3
Molecular Weight228.36 g/mol
Exact Mass227.91
IUPAC Nameazanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate
SMILESN#C[S-].O=S([O-])(O)=S.[K+].[NH4+]
InChIInChI=1S/CHNS.K.H3N.H2O3S2/c2-1-3;;;1-5(2,3)4/h3H;;1H3;(H2,1,2,3,4)/q;+1;;/p-1
InChIKeyMSMOAJQDTICZFZ-UHFFFAOYSA-M
XLogP-3.27
TPSA120.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 5-3.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

azanium hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane
CID 57346127
potassium;sodium;sulfurothioic O-acid;sulfate
CID 174539688
azanium;potassium;sodium;trithiocyanate
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azanium;dioxido-oxo-sulfanylidene-λ6-sulfane;platinum
CID 159475965
diazanium;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 6096946
decapotassium;pentakis(dioxido-oxo-sulfanylidene-λ6-sulfane)
CID 174604001
tripotassium;trithiocyanate
CID 155294636
zinc;oxalonitrile;sulfate
CID 174840626
dipotassium;cyanate;thiocyanate
CID 18352859
bismuth;potassium;dioxido-oxo-sulfanylidene-lambda6-sulfane
CID 18448851
sulfuric acid;sulfate;heptahydrate
CID 22403493
potassium;dioxido-oxo-sulfanylidene-λ6-sulfane;gold(1+)
CID 22218750

Frequently Asked Questions

What is the IUPAC name of azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate?
The IUPAC name of azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate (CID 139681245) is azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate.
What is the SMILES notation for azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate?
The canonical SMILES for azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate is N#C[S-].O=S([O-])(O)=S.[K+].[NH4+].
What is the InChIKey of azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate?
The InChIKey is MSMOAJQDTICZFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/CHNS.K.H3N.H2O3S2/c2-1-3;;;1-5(2,3)4/h3H;;1H3;(H2,1,2,3,4)/q;+1;;/p-1.
What are the key properties of azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate?
azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate has a molecular weight of 228.36 g/mol, XLogP of -3.27, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;potassium;hydroxy-oxido-oxo-sulfanylidene-λ6-sulfane;thiocyanate is sourced from PubChem (CID 139681245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).