aluminum;diaminomethylideneazanium;sulfate

CH6AlN3O4S+2 — CID 135853176

IUPACaluminum;diaminomethylideneazanium;sulfate
SMILESNC(N)=[NH2+].O=S(=O)([O-])[O-].[Al+3]
InChIInChI=1S/CH5N3.Al.H2O4S/c2-1(3)4;;1-5(2,3)4/h(H5,2,3,4);;(H2,1,2,3,4)/q;+3;/p-1
InChIKeySTHNAZDKVZOSLA-UHFFFAOYSA-M
MW183.12 g/mol
LogP-4.70
Rot. Bonds

About aluminum;diaminomethylideneazanium;sulfate

aluminum;diaminomethylideneazanium;sulfate (PubChem CID 135853176) has the molecular formula CH6AlN3O4S+2 and a molecular weight of 183.12 g/mol. Its IUPAC name is aluminum;diaminomethylideneazanium;sulfate.

Molecular Properties

Compound Namealuminum;diaminomethylideneazanium;sulfate
PubChem CID135853176
Molecular FormulaCH6AlN3O4S+2
Molecular Weight183.12 g/mol
Exact Mass182.99
IUPAC Namealuminum;diaminomethylideneazanium;sulfate
SMILESNC(N)=[NH2+].O=S(=O)([O-])[O-].[Al+3]
InChIInChI=1S/CH5N3.Al.H2O4S/c2-1(3)4;;1-5(2,3)4/h(H5,2,3,4);;(H2,1,2,3,4)/q;+3;/p-1
InChIKeySTHNAZDKVZOSLA-UHFFFAOYSA-M
XLogP-4.70
TPSA157.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 5-4.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aluminum;diaminomethylideneazanium;sulfate?
The IUPAC name of aluminum;diaminomethylideneazanium;sulfate (CID 135853176) is aluminum;diaminomethylideneazanium;sulfate.
What is the SMILES notation for aluminum;diaminomethylideneazanium;sulfate?
The canonical SMILES for aluminum;diaminomethylideneazanium;sulfate is NC(N)=[NH2+].O=S(=O)([O-])[O-].[Al+3].
What is the InChIKey of aluminum;diaminomethylideneazanium;sulfate?
The InChIKey is STHNAZDKVZOSLA-UHFFFAOYSA-M. The full InChI is InChI=1S/CH5N3.Al.H2O4S/c2-1(3)4;;1-5(2,3)4/h(H5,2,3,4);;(H2,1,2,3,4)/q;+3;/p-1.
What are the key properties of aluminum;diaminomethylideneazanium;sulfate?
aluminum;diaminomethylideneazanium;sulfate has a molecular weight of 183.12 g/mol, XLogP of -4.70, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;diaminomethylideneazanium;sulfate is sourced from PubChem (CID 135853176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).