methylazanium;trimethylazanium;sulfate

C4H16N2O4S — CID 172848902

IUPACmethylazanium;trimethylazanium;sulfate
SMILESC[NH+](C)C.C[NH3+].O=S(=O)([O-])[O-]
InChIInChI=1S/C3H9N.CH5N.H2O4S/c1-4(2)3;1-2;1-5(2,3)4/h1-3H3;2H2,1H3;(H2,1,2,3,4)
InChIKeyXUNOTVCHDSGWNA-UHFFFAOYSA-N
MW188.25 g/mol
LogP-3.72
Rot. Bonds

About methylazanium;trimethylazanium;sulfate

methylazanium;trimethylazanium;sulfate (PubChem CID 172848902) has the molecular formula C4H16N2O4S and a molecular weight of 188.25 g/mol. Its IUPAC name is methylazanium;trimethylazanium;sulfate.

Molecular Properties

Compound Namemethylazanium;trimethylazanium;sulfate
PubChem CID172848902
Molecular FormulaC4H16N2O4S
Molecular Weight188.25 g/mol
Exact Mass188.08
IUPAC Namemethylazanium;trimethylazanium;sulfate
SMILESC[NH+](C)C.C[NH3+].O=S(=O)([O-])[O-]
InChIInChI=1S/C3H9N.CH5N.H2O4S/c1-4(2)3;1-2;1-5(2,3)4/h1-3H3;2H2,1H3;(H2,1,2,3,4)
InChIKeyXUNOTVCHDSGWNA-UHFFFAOYSA-N
XLogP-3.72
TPSA112.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-3.72
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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Related Compounds

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silver;zinc;sulfate
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dicalcium;sulfate
CID 23431966
tris(vanadium);pentasulfate
CID 173042063
dilithium;cobalt;sulfate
CID 174060420
octaazanium;tetrasulfate
CID 86742620
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CID 21225610
aluminum;lithium;sulfate
CID 23446975
cerium trisulfate
CID 160867766

Frequently Asked Questions

What is the IUPAC name of methylazanium;trimethylazanium;sulfate?
The IUPAC name of methylazanium;trimethylazanium;sulfate (CID 172848902) is methylazanium;trimethylazanium;sulfate.
What is the SMILES notation for methylazanium;trimethylazanium;sulfate?
The canonical SMILES for methylazanium;trimethylazanium;sulfate is C[NH+](C)C.C[NH3+].O=S(=O)([O-])[O-].
What is the InChIKey of methylazanium;trimethylazanium;sulfate?
The InChIKey is XUNOTVCHDSGWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CH5N.H2O4S/c1-4(2)3;1-2;1-5(2,3)4/h1-3H3;2H2,1H3;(H2,1,2,3,4).
What are the key properties of methylazanium;trimethylazanium;sulfate?
methylazanium;trimethylazanium;sulfate has a molecular weight of 188.25 g/mol, XLogP of -3.72, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylazanium;trimethylazanium;sulfate is sourced from PubChem (CID 172848902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).