triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate

C4H12AgFeN8O7S5 — CID 173352429

IUPACtriazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate
SMILESO=S(=O)([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Fe+3].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[NH4+].[NH4+].[NH4+]
InChIInChI=1S/4CNS.Ag.Fe.NO3.3H3N.H2O4S/c4*2-1-3;;;2-1(3)4;;;;1-5(2,3)4/h;;;;;;;3*1H3;(H2,1,2,3,4)/q4*-1;+1;+3;-1;;;;/p+1
InChIKeyJQXDVALWGNSDFE-UHFFFAOYSA-O
MW608.24 g/mol
LogP2.18
Rot. Bonds

About triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate

triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate (PubChem CID 173352429) has the molecular formula C4H12AgFeN8O7S5 and a molecular weight of 608.24 g/mol. Its IUPAC name is triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate.

Molecular Properties

Compound Nametriazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate
PubChem CID173352429
Molecular FormulaC4H12AgFeN8O7S5
Molecular Weight608.24 g/mol
Exact Mass606.78
IUPAC Nametriazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate
SMILESO=S(=O)([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Fe+3].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[NH4+].[NH4+].[NH4+]
InChIInChI=1S/4CNS.Ag.Fe.NO3.3H3N.H2O4S/c4*2-1-3;;;2-1(3)4;;;;1-5(2,3)4/h;;;;;;;3*1H3;(H2,1,2,3,4)/q4*-1;+1;+3;-1;;;;/p+1
InChIKeyJQXDVALWGNSDFE-UHFFFAOYSA-O
XLogP2.18
TPSA345.16 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.24
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 157288623
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CID 175582039
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CID 159299731
manganese(2+);nickel(2+);nitrate;sulfate
CID 162151787
disodium;hydrogen sulfate;isothiocyanate
CID 158966766
azanium;silver;dinitrate
CID 23638970
diazanium;iron(3+);sulfate
CID 154825065
azanium;iron(3+);oxygen(2-);sulfate
CID 160689696
azanium sulfate
CID 21225610
azanium;lithium;sulfate
CID 139045804
octaazanium;tetrasulfate
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tetrasilver;tetranitrate
CID 172745321

Frequently Asked Questions

What is the IUPAC name of triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate?
The IUPAC name of triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate (CID 173352429) is triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate.
What is the SMILES notation for triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate?
The canonical SMILES for triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate is O=S(=O)([O-])[O-].O=[N+]([O-])[O-].[Ag+].[Fe+3].[N-]=C=S.[N-]=C=S.[N-]=C=S.[N-]=C=S.[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate?
The InChIKey is JQXDVALWGNSDFE-UHFFFAOYSA-O. The full InChI is InChI=1S/4CNS.Ag.Fe.NO3.3H3N.H2O4S/c4*2-1-3;;;2-1(3)4;;;;1-5(2,3)4/h;;;;;;;3*1H3;(H2,1,2,3,4)/q4*-1;+1;+3;-1;;;;/p+1.
What are the key properties of triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate?
triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate has a molecular weight of 608.24 g/mol, XLogP of 2.18, 0 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;silver;iron(3+);tetraisothiocyanate;nitrate;sulfate is sourced from PubChem (CID 173352429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).