diazanium;hydrogen phosphate;sulfane

H11N2O4PS — CID 173018779

IUPACdiazanium;hydrogen phosphate;sulfane
SMILESO=P([O-])([O-])O.S.[NH4+].[NH4+]
InChIInChI=1S/2H3N.H3O4P.H2S/c;;1-5(2,3)4;/h2*1H3;(H3,1,2,3,4);1H2
InChIKeyIOZJQZLXUFXVNE-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.33
Rot. Bonds

About diazanium;hydrogen phosphate;sulfane

diazanium;hydrogen phosphate;sulfane (PubChem CID 173018779) has the molecular formula H11N2O4PS and a molecular weight of 166.14 g/mol. Its IUPAC name is diazanium;hydrogen phosphate;sulfane.

Molecular Properties

Compound Namediazanium;hydrogen phosphate;sulfane
PubChem CID173018779
Molecular FormulaH11N2O4PS
Molecular Weight166.14 g/mol
Exact Mass166.02
IUPAC Namediazanium;hydrogen phosphate;sulfane
SMILESO=P([O-])([O-])O.S.[NH4+].[NH4+]
InChIInChI=1S/2H3N.H3O4P.H2S/c;;1-5(2,3)4;/h2*1H3;(H3,1,2,3,4);1H2
InChIKeyIOZJQZLXUFXVNE-UHFFFAOYSA-N
XLogP-1.33
TPSA156.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazanium;hydrogen phosphate;sulfane?
The IUPAC name of diazanium;hydrogen phosphate;sulfane (CID 173018779) is diazanium;hydrogen phosphate;sulfane.
What is the SMILES notation for diazanium;hydrogen phosphate;sulfane?
The canonical SMILES for diazanium;hydrogen phosphate;sulfane is O=P([O-])([O-])O.S.[NH4+].[NH4+].
What is the InChIKey of diazanium;hydrogen phosphate;sulfane?
The InChIKey is IOZJQZLXUFXVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3N.H3O4P.H2S/c;;1-5(2,3)4;/h2*1H3;(H3,1,2,3,4);1H2.
What are the key properties of diazanium;hydrogen phosphate;sulfane?
diazanium;hydrogen phosphate;sulfane has a molecular weight of 166.14 g/mol, XLogP of -1.33, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;hydrogen phosphate;sulfane is sourced from PubChem (CID 173018779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).