bis(triethylazanium);sulfate

C12H32N2O4S — CID 23048603

IUPACbis(triethylazanium);sulfate
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=S(=O)([O-])[O-]
InChIInChI=1S/2C6H15N.H2O4S/c2*1-4-7(5-2)6-3;1-5(2,3)4/h2*4-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyNKNFUMKGJYKPCT-UHFFFAOYSA-N
MW300.46 g/mol
LogP-1.48
Rot. Bonds6

About bis(triethylazanium);sulfate

bis(triethylazanium);sulfate (PubChem CID 23048603) has the molecular formula C12H32N2O4S and a molecular weight of 300.46 g/mol. Its IUPAC name is bis(triethylazanium);sulfate.

Molecular Properties

Compound Namebis(triethylazanium);sulfate
PubChem CID23048603
Molecular FormulaC12H32N2O4S
Molecular Weight300.46 g/mol
Exact Mass300.21
IUPAC Namebis(triethylazanium);sulfate
SMILESCC[NH+](CC)CC.CC[NH+](CC)CC.O=S(=O)([O-])[O-]
InChIInChI=1S/2C6H15N.H2O4S/c2*1-4-7(5-2)6-3;1-5(2,3)4/h2*4-6H2,1-3H3;(H2,1,2,3,4)
InChIKeyNKNFUMKGJYKPCT-UHFFFAOYSA-N
XLogP-1.48
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(triethylazanium);sulfate?
The IUPAC name of bis(triethylazanium);sulfate (CID 23048603) is bis(triethylazanium);sulfate.
What is the SMILES notation for bis(triethylazanium);sulfate?
The canonical SMILES for bis(triethylazanium);sulfate is CC[NH+](CC)CC.CC[NH+](CC)CC.O=S(=O)([O-])[O-].
What is the InChIKey of bis(triethylazanium);sulfate?
The InChIKey is NKNFUMKGJYKPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15N.H2O4S/c2*1-4-7(5-2)6-3;1-5(2,3)4/h2*4-6H2,1-3H3;(H2,1,2,3,4).
What are the key properties of bis(triethylazanium);sulfate?
bis(triethylazanium);sulfate has a molecular weight of 300.46 g/mol, XLogP of -1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triethylazanium);sulfate is sourced from PubChem (CID 23048603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).