hydrogen sulfate;tripropylazanium

C9H23NO4S — CID 166451169

IUPAChydrogen sulfate;tripropylazanium
SMILESCCC[NH+](CCC)CCC.O=S(=O)([O-])O
InChIInChI=1S/C9H21N.H2O4S/c1-4-7-10(8-5-2)9-6-3;1-5(2,3)4/h4-9H2,1-3H3;(H2,1,2,3,4)
InChIKeyMFODESMXMZRWAI-UHFFFAOYSA-N
MW241.35 g/mol
LogP0.11
Rot. Bonds6

About hydrogen sulfate;tripropylazanium

hydrogen sulfate;tripropylazanium (PubChem CID 166451169) has the molecular formula C9H23NO4S and a molecular weight of 241.35 g/mol. Its IUPAC name is hydrogen sulfate;tripropylazanium.

Molecular Properties

Compound Namehydrogen sulfate;tripropylazanium
PubChem CID166451169
Molecular FormulaC9H23NO4S
Molecular Weight241.35 g/mol
Exact Mass241.13
IUPAC Namehydrogen sulfate;tripropylazanium
SMILESCCC[NH+](CCC)CCC.O=S(=O)([O-])O
InChIInChI=1S/C9H21N.H2O4S/c1-4-7-10(8-5-2)9-6-3;1-5(2,3)4/h4-9H2,1-3H3;(H2,1,2,3,4)
InChIKeyMFODESMXMZRWAI-UHFFFAOYSA-N
XLogP0.11
TPSA81.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 hydrogen sulfate;tripropylazanium?
The IUPAC name of hydrogen sulfate;tripropylazanium (CID 166451169) is hydrogen sulfate;tripropylazanium.
What is the SMILES notation for hydrogen sulfate;tripropylazanium?
The canonical SMILES for hydrogen sulfate;tripropylazanium is CCC[NH+](CCC)CCC.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;tripropylazanium?
The InChIKey is MFODESMXMZRWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.H2O4S/c1-4-7-10(8-5-2)9-6-3;1-5(2,3)4/h4-9H2,1-3H3;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;tripropylazanium?
hydrogen sulfate;tripropylazanium has a molecular weight of 241.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;tripropylazanium is sourced from PubChem (CID 166451169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).