diazanium;sulfooxy sulfate;acetate

C2H12N2O10S2 — CID 140672983

IUPACdiazanium;sulfooxy sulfate;acetate
SMILESCC(=O)[O-].O=S(=O)([O-])OOS(=O)(=O)O.[NH4+].[NH4+]
InChIInChI=1S/C2H4O2.2H3N.H2O8S2/c1-2(3)4;;;1-9(2,3)7-8-10(4,5)6/h1H3,(H,3,4);2*1H3;(H,1,2,3)(H,4,5,6)
InChIKeyRQTCSNMOEYVEKD-UHFFFAOYSA-N
MW288.26 g/mol
LogP-2.29
Rot. Bonds3

About diazanium;sulfooxy sulfate;acetate

diazanium;sulfooxy sulfate;acetate (PubChem CID 140672983) has the molecular formula C2H12N2O10S2 and a molecular weight of 288.26 g/mol. Its IUPAC name is diazanium;sulfooxy sulfate;acetate.

Molecular Properties

Compound Namediazanium;sulfooxy sulfate;acetate
PubChem CID140672983
Molecular FormulaC2H12N2O10S2
Molecular Weight288.26 g/mol
Exact Mass287.99
IUPAC Namediazanium;sulfooxy sulfate;acetate
SMILESCC(=O)[O-].O=S(=O)([O-])OOS(=O)(=O)O.[NH4+].[NH4+]
InChIInChI=1S/C2H4O2.2H3N.H2O8S2/c1-2(3)4;;;1-9(2,3)7-8-10(4,5)6/h1H3,(H,3,4);2*1H3;(H,1,2,3)(H,4,5,6)
InChIKeyRQTCSNMOEYVEKD-UHFFFAOYSA-N
XLogP-2.29
TPSA243.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 5-2.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

hydrogen sulfate;iron(3+);sulfooxy hydrogen sulfate
CID 19609642
azanium;nickel(2+);acetate;sulfate
CID 158924325
azanium;calcium;acetate;sulfate
CID 172678515
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
CID 174413776
CID 174413776
sulfooxy hydrogen sulfate
CID 24413
bis(manganese(2+));acetate;sulfate
CID 19995630
calcium;sulfuric acid;diacetate
CID 173099353
dicalcium sulfonatooxy sulfate
CID 159780487
strontium sulfonatooxy sulfate
CID 21114005
dipotassium;sulfonatooxy sulfate
CID 516926
bis(rubidium(1+));sulfonatooxy sulfate
CID 18406061

Frequently Asked Questions

What is the IUPAC name of diazanium;sulfooxy sulfate;acetate?
The IUPAC name of diazanium;sulfooxy sulfate;acetate (CID 140672983) is diazanium;sulfooxy sulfate;acetate.
What is the SMILES notation for diazanium;sulfooxy sulfate;acetate?
The canonical SMILES for diazanium;sulfooxy sulfate;acetate is CC(=O)[O-].O=S(=O)([O-])OOS(=O)(=O)O.[NH4+].[NH4+].
What is the InChIKey of diazanium;sulfooxy sulfate;acetate?
The InChIKey is RQTCSNMOEYVEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.2H3N.H2O8S2/c1-2(3)4;;;1-9(2,3)7-8-10(4,5)6/h1H3,(H,3,4);2*1H3;(H,1,2,3)(H,4,5,6).
What are the key properties of diazanium;sulfooxy sulfate;acetate?
diazanium;sulfooxy sulfate;acetate has a molecular weight of 288.26 g/mol, XLogP of -2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;sulfooxy sulfate;acetate is sourced from PubChem (CID 140672983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).