bis(diethylazanium);sulfite

C8H24N2O3S — CID 15797023

IUPACbis(diethylazanium);sulfite
SMILESCC[NH2+]CC.CC[NH2+]CC.O=S([O-])[O-]
InChIInChI=1S/2C4H11N.H2O3S/c2*1-3-5-4-2;1-4(2)3/h2*5H,3-4H2,1-2H3;(H2,1,2,3)
InChIKeyHNSZYBWQLMHYQK-UHFFFAOYSA-N
MW228.36 g/mol
LogP-1.82
Rot. Bonds4

About bis(diethylazanium);sulfite

bis(diethylazanium);sulfite (PubChem CID 15797023) has the molecular formula C8H24N2O3S and a molecular weight of 228.36 g/mol. Its IUPAC name is bis(diethylazanium);sulfite.

Molecular Properties

Compound Namebis(diethylazanium);sulfite
PubChem CID15797023
Molecular FormulaC8H24N2O3S
Molecular Weight228.36 g/mol
Exact Mass228.15
IUPAC Namebis(diethylazanium);sulfite
SMILESCC[NH2+]CC.CC[NH2+]CC.O=S([O-])[O-]
InChIInChI=1S/2C4H11N.H2O3S/c2*1-3-5-4-2;1-4(2)3/h2*5H,3-4H2,1-2H3;(H2,1,2,3)
InChIKeyHNSZYBWQLMHYQK-UHFFFAOYSA-N
XLogP-1.82
TPSA96.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triethylammonium sulfite
CID 14718431
Triathylammoniumsulfat
CID 23048603
Diathylammoniumsulfat
CID 23213341
Diethylammonium sulfamate
CID 134716121
Triethylazanium sulfamate
CID 88492471
Triethylammonium sulphonate
CID 19005111
Diethylazanium sulfite
CID 135001964
Diethyl(ethylsulfamoyl)amine
CID 43213420
bis(N-ethylethanamine);sulfuric acid
CID 85982834
bis(N-ethylethanamine);hydrogen peroxide
CID 87070576
Ethyl(methyl)azanium;sulfate
CID 87164883
CID 88096233
CID 88096233

Frequently Asked Questions

What is the IUPAC name of bis(diethylazanium);sulfite?
The IUPAC name of bis(diethylazanium);sulfite (CID 15797023) is bis(diethylazanium);sulfite.
What is the SMILES notation for bis(diethylazanium);sulfite?
The canonical SMILES for bis(diethylazanium);sulfite is CC[NH2+]CC.CC[NH2+]CC.O=S([O-])[O-].
What is the InChIKey of bis(diethylazanium);sulfite?
The InChIKey is HNSZYBWQLMHYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11N.H2O3S/c2*1-3-5-4-2;1-4(2)3/h2*5H,3-4H2,1-2H3;(H2,1,2,3).
What are the key properties of bis(diethylazanium);sulfite?
bis(diethylazanium);sulfite has a molecular weight of 228.36 g/mol, XLogP of -1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylazanium);sulfite is sourced from PubChem (CID 15797023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).