cesium;hydrogen sulfate;1H-imidazole

C3H5CsN2O4S — CID 86689419

IUPACcesium;hydrogen sulfate;1H-imidazole
SMILESO=S(=O)([O-])O.[Cs+].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Cs.H2O4S/c1-2-5-3-4-1;;1-5(2,3)4/h1-3H,(H,4,5);;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyGXYFJGWPNNUGOE-UHFFFAOYSA-M
MW298.06 g/mol
LogP-3.58
Rot. Bonds

About cesium;hydrogen sulfate;1H-imidazole

cesium;hydrogen sulfate;1H-imidazole (PubChem CID 86689419) has the molecular formula C3H5CsN2O4S and a molecular weight of 298.06 g/mol. Its IUPAC name is cesium;hydrogen sulfate;1H-imidazole.

Molecular Properties

Compound Namecesium;hydrogen sulfate;1H-imidazole
PubChem CID86689419
Molecular FormulaC3H5CsN2O4S
Molecular Weight298.06 g/mol
Exact Mass297.90
IUPAC Namecesium;hydrogen sulfate;1H-imidazole
SMILESO=S(=O)([O-])O.[Cs+].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Cs.H2O4S/c1-2-5-3-4-1;;1-5(2,3)4/h1-3H,(H,4,5);;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyGXYFJGWPNNUGOE-UHFFFAOYSA-M
XLogP-3.58
TPSA106.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 5-3.58
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 cesium;hydrogen sulfate;1H-imidazole?
The IUPAC name of cesium;hydrogen sulfate;1H-imidazole (CID 86689419) is cesium;hydrogen sulfate;1H-imidazole.
What is the SMILES notation for cesium;hydrogen sulfate;1H-imidazole?
The canonical SMILES for cesium;hydrogen sulfate;1H-imidazole is O=S(=O)([O-])O.[Cs+].c1c[nH]cn1.
What is the InChIKey of cesium;hydrogen sulfate;1H-imidazole?
The InChIKey is GXYFJGWPNNUGOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N2.Cs.H2O4S/c1-2-5-3-4-1;;1-5(2,3)4/h1-3H,(H,4,5);;(H2,1,2,3,4)/q;+1;/p-1.
What are the key properties of cesium;hydrogen sulfate;1H-imidazole?
cesium;hydrogen sulfate;1H-imidazole has a molecular weight of 298.06 g/mol, XLogP of -3.58, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;hydrogen sulfate;1H-imidazole is sourced from PubChem (CID 86689419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).