pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate

Na5O7PS2 — CID 173197799

IUPACpentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate
SMILESO=P([O-])([O-])[O-].O=S([O-])([O-])=S.[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/5Na.H3O4P.H2O3S2/c;;;;;2*1-5(2,3)4/h;;;;;(H3,1,2,3,4);(H2,1,2,3,4)/q5*+1;;/p-5
InChIKeyQKILUANSJNLYBI-UHFFFAOYSA-I
MW322.05 g/mol
LogP-18.81
Rot. Bonds

About pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate

pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate (PubChem CID 173197799) has the molecular formula Na5O7PS2 and a molecular weight of 322.05 g/mol. Its IUPAC name is pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate.

Molecular Properties

Compound Namepentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate
PubChem CID173197799
Molecular FormulaNa5O7PS2
Molecular Weight322.05 g/mol
Exact Mass321.83
IUPAC Namepentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate
SMILESO=P([O-])([O-])[O-].O=S([O-])([O-])=S.[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/5Na.H3O4P.H2O3S2/c;;;;;2*1-5(2,3)4/h;;;;;(H3,1,2,3,4);(H2,1,2,3,4)/q5*+1;;/p-5
InChIKeyQKILUANSJNLYBI-UHFFFAOYSA-I
XLogP-18.81
TPSA149.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.05
LogP ≤ 5-18.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

sodium;zinc;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 18448863
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrochloride
CID 174901688
aluminum;trisodium;phosphate;sulfate;tetradecahydrate
CID 159736606
aluminum;phosphate;sulfate
CID 18435162
dicalcium;phosphate;sulfate
CID 19375376
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrogen peroxide
CID 159432159
diazanium;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 6096946
dioxido-oxo-sulfanylidene-λ6-sulfane;bis(thallium(1+))
CID 23455058
bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+)
CID 172773772
azanium;dioxido-oxo-sulfanylidene-λ6-sulfane;platinum
CID 159475965
dicalcium bis(dioxido-oxo-sulfanylidene-λ6-sulfane)
CID 158989615
dioxido-oxo-sulfanylidene-λ6-sulfane;gold
CID 160979990

Frequently Asked Questions

What is the IUPAC name of pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate?
The IUPAC name of pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate (CID 173197799) is pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate.
What is the SMILES notation for pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate?
The canonical SMILES for pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate is O=P([O-])([O-])[O-].O=S([O-])([O-])=S.[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate?
The InChIKey is QKILUANSJNLYBI-UHFFFAOYSA-I. The full InChI is InChI=1S/5Na.H3O4P.H2O3S2/c;;;;;2*1-5(2,3)4/h;;;;;(H3,1,2,3,4);(H2,1,2,3,4)/q5*+1;;/p-5.
What are the key properties of pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate?
pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate has a molecular weight of 322.05 g/mol, XLogP of -18.81, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentasodium;dioxido-oxo-sulfanylidene-λ6-sulfane;phosphate is sourced from PubChem (CID 173197799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).