disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane

C2H4Na2O6S4 — CID 58911368

IUPACdisodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane
SMILESO=S(=S)(CCS(=O)(=S)O[O-])O[O-].[Na+].[Na+]
InChIInChI=1S/C2H6O6S4.2Na/c3-7-11(5,9)1-2-12(6,10)8-4;;/h3-4H,1-2H2;;/q;2*+1/p-2
InChIKeySNUJZGPPFKRXPA-UHFFFAOYSA-L
MW298.30 g/mol
LogP-9.10
Rot. Bonds5

About disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane

disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane (PubChem CID 58911368) has the molecular formula C2H4Na2O6S4 and a molecular weight of 298.30 g/mol. Its IUPAC name is disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namedisodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane
PubChem CID58911368
Molecular FormulaC2H4Na2O6S4
Molecular Weight298.30 g/mol
Exact Mass297.87
IUPAC Namedisodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane
SMILESO=S(=S)(CCS(=O)(=S)O[O-])O[O-].[Na+].[Na+]
InChIInChI=1S/C2H6O6S4.2Na/c3-7-11(5,9)1-2-12(6,10)8-4;;/h3-4H,1-2H2;;/q;2*+1/p-2
InChIKeySNUJZGPPFKRXPA-UHFFFAOYSA-L
XLogP-9.10
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-9.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

sodium methanesulfonoperoxoate
CID 59815177
sodium;zinc;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 18448863
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrochloride
CID 174901688
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrogen peroxide
CID 159432159
ethyl-methoxy-oxo-sulfanylidene-λ6-sulfane
CID 59395365
sodium;dioxido-oxo-sulfanylidene-λ6-sulfane;ethylmercury(1+)
CID 173390375
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;sulfur dioxide
CID 174899783
disodium;ethane-1,2-diol;sulfate
CID 158719389
sodium;propan-1-ol;sulfurothioic O-acid
CID 162066518
sodium hydroxymethyl sulfate
CID 23709001
diazanium;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 6096946
bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+)
CID 172773772

Frequently Asked Questions

What is the IUPAC name of disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane (CID 58911368) is disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane is O=S(=S)(CCS(=O)(=S)O[O-])O[O-].[Na+].[Na+].
What is the InChIKey of disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is SNUJZGPPFKRXPA-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6O6S4.2Na/c3-7-11(5,9)1-2-12(6,10)8-4;;/h3-4H,1-2H2;;/q;2*+1/p-2.
What are the key properties of disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane?
disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 298.30 g/mol, XLogP of -9.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;oxidooxy-(2-oxidooxysulfonothioylethyl)-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 58911368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).