disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine)

C2H8N4Na2O7S4 — CID 173344370

IUPACdisodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine)
SMILESNC(N)=S(=O)=O.NC(N)=S(=O)=O.O=S([O-])([O-])=S.[Na+].[Na+]
InChIInChI=1S/2CH4N2O2S.2Na.H2O3S2/c2*2-1(3)6(4)5;;;1-5(2,3)4/h2*2-3H2;;;(H2,1,2,3,4)/q;;2*+1;/p-2
InChIKeyHZZKHADCYGEYSM-UHFFFAOYSA-L
MW374.36 g/mol
LogP-11.26
Rot. Bonds

About disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine)

disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine) (PubChem CID 173344370) has the molecular formula C2H8N4Na2O7S4 and a molecular weight of 374.36 g/mol. Its IUPAC name is disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine).

Molecular Properties

Compound Namedisodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine)
PubChem CID173344370
Molecular FormulaC2H8N4Na2O7S4
Molecular Weight374.36 g/mol
Exact Mass373.91
IUPAC Namedisodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine)
SMILESNC(N)=S(=O)=O.NC(N)=S(=O)=O.O=S([O-])([O-])=S.[Na+].[Na+]
InChIInChI=1S/2CH4N2O2S.2Na.H2O3S2/c2*2-1(3)6(4)5;;;1-5(2,3)4/h2*2-3H2;;;(H2,1,2,3,4)/q;;2*+1;/p-2
InChIKeyHZZKHADCYGEYSM-UHFFFAOYSA-L
XLogP-11.26
TPSA235.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 5-11.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrogen peroxide
CID 159432159
sodium;zinc;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 18448863
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydrochloride
CID 174901688
trisodium;dioxido-oxo-sulfanylidene-λ6-sulfane;gold;sulfurothioic O-acid
CID 170842197
disodium;carbonic acid;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 18517882
dioxido-oxo-sulfanylidene-λ6-sulfane;gold;sulfite
CID 174156089
potassium;sodium;dioxido-oxo-sulfanylidene-λ6-sulfane;hydride;hydron;phosphorous acid
CID 173301575
decapotassium;pentakis(dioxido-oxo-sulfanylidene-λ6-sulfane)
CID 174604001
diazanium;dioxido-oxo-sulfanylidene-λ6-sulfane
CID 6096946
bis(dioxido-oxo-sulfanylidene-λ6-sulfane);titanium(4+)
CID 172773772
azanium;dioxido-oxo-sulfanylidene-λ6-sulfane;platinum
CID 159475965
dioxido-oxo-sulfanylidene-λ6-sulfane;bis(thallium(1+))
CID 23455058

Frequently Asked Questions

What is the IUPAC name of disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine)?
The IUPAC name of disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine) (CID 173344370) is disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine).
What is the SMILES notation for disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine)?
The canonical SMILES for disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine) is NC(N)=S(=O)=O.NC(N)=S(=O)=O.O=S([O-])([O-])=S.[Na+].[Na+].
What is the InChIKey of disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine)?
The InChIKey is HZZKHADCYGEYSM-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH4N2O2S.2Na.H2O3S2/c2*2-1(3)6(4)5;;;1-5(2,3)4/h2*2-3H2;;;(H2,1,2,3,4)/q;;2*+1;/p-2.
What are the key properties of disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine)?
disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine) has a molecular weight of 374.36 g/mol, XLogP of -11.26, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dioxido-oxo-sulfanylidene-λ6-sulfane;bis(sulfonylmethanediamine) is sourced from PubChem (CID 173344370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).